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1-Benzyl-1H-indole-3-carbonitrile
SpectraBase Compound ID 1GI5o5R56DM
InChI InChI=1S/C16H12N2/c17-10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,11H2
InChIKey DMYNZVMECAXLQU-UHFFFAOYSA-N
Mol Weight 232.29 g/mol
Molecular Formula C16H12N2
Exact Mass 232.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHfhm5uX3Ha
Name 1-Benzyl-1H-indole-3-carbonitrile
Alternate Name(s) 1-(Phenylmethyl)-3-indolecarbonitrile 1-(Phenylmethyl)indole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2
InChI InChI=1S/C16H12N2/c17-10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,11H2
InChIKey DMYNZVMECAXLQU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1000439
Molecular Weight 232.286 g/mol
SMILES c1cc2c(c[n](Cc3ccccc3)c2cc1)C#N
SPLASH splash10-0006-9440000000-913a13495a1d74f96baf
Source of Spectrum A1-12-1052/SMS8-2g
Wiley ID 1751922