• Data source

  • Data source type

  • Focused library

  • XSection

Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 47465 results

Search term: DATA_SOURCE in ('NIST Chemistry WebBook')
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
913


InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
C6H5NO2123.1094238239878871123
3268


InChI=1/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
C4H3FN2O2130.07722331636825396233
730


InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
C2H5NO275.066622425723426557618
780


InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
C10H9NO2175.18422312041877166
185


InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
C5H5N5135.126722312474317513760
1906


InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
C8H9NO2151.1626222953314533517
116


InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
C4H9NO2103.11982202467844404410
2010

InChI=1/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
C5H4N4O136.11152183563474172
953


InChI=1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
C7H7NO2137.13621717411964931
577


InChI=1/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
C4H5N3O111.1022175958158241762
1141


InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
C4H4N2O2112.0868216441478742034
8438


InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
C7H6O3138.1207216403146225
123


InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
C7H6O2122.1213215641370700
238


InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
C7H6O2122.1213214162454699688
1037


InChI=1/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
C7H5NO4167.1189214140912110
3544


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
C13H18O2206.280821457327925402
1664


InChI=1/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
C5H6N294.1145214322451121806
8867

InChI=1/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
C7H6N2118.1359213254149125
393368


Double-bond stereo
InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
C10H10O4194.18421312121810250
331


InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
C7H6O3138.1207213786869133409
12345

Advertisement