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1-Cyclohexyl-6-(2-hydroxyphenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID DDSAqVVO1yO
InChI InChI=1S/C20H18N4O3/c21-11-13-12-23(14-6-2-1-3-7-14)20-16(13)10-17(24(26)27)19(22-20)15-8-4-5-9-18(15)25/h4-5,8-10,12,14,25H,1-3,6-7H2
InChIKey AISUSGYPWRAQAT-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C20H18N4O3
Exact Mass 362.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4w2QUM65Oi
Name 1-Cyclohexyl-6-(2-hydroxyphenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O3
InChI InChI=1S/C20H18N4O3/c21-11-13-12-23(14-6-2-1-3-7-14)20-16(13)10-17(24(26)27)19(22-20)15-8-4-5-9-18(15)25/h4-5,8-10,12,14,25H,1-3,6-7H2
InChIKey AISUSGYPWRAQAT-UHFFFAOYSA-N
Molecular Weight 362.389 g/mol
SMILES Oc1c(-c2nc3[n](cc(c3cc2N(=O)=O)C#N)C2CCCCC2)cccc1
SPLASH splash10-01q9-0096000000-2f224913f6c63c92c1ab
Source of Spectrum F-68-2539-3g
Wiley ID 1708760