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3-Indoleacetonitrile
SpectraBase Compound ID AYSQiNnluif
InChI InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey DMCPFOBLJMLSNX-UHFFFAOYSA-N
Mol Weight 156.19 g/mol
Molecular Formula C10H8N2
Exact Mass 156.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxpYxpvUvlf
Name 1H-Indole-3-acetonitrile
CAS Registry Number 771-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2
InChI InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey DMCPFOBLJMLSNX-UHFFFAOYSA-N
Molecular Weight 156.188 g/mol
SMILES C(#N)Cc1c2c(cccc2)[nH]c1
SPLASH splash10-0a4i-2900000000-e98e90b079ff4f471a14
Source of Spectrum W5-8227-0-0
Synonyms Indole-3-acetonitrile 1H-Indol-3-ylacetonitrile (Indole-3-yl)acetonitrile .beta.-Indoleacetonitrile 2-(1H-indol-3-yl)acetonitrile 2-(1H-indol-3-yl)ethanenitrile 3-(Cyanomethyl)indole 3-Indolacetonitrile 3-Indoleacetonitrile 3-Indolylacetonitrile Acetonitrile, 3-indolyl- Indol-3-ylacetonitrile Indoleacetonitrile Indolyl-3-acetonitrile Indolylacetonitril Indolylacetonitrile USAF CB-29 AI3-50105 BRN 0125488 CCRIS 5807 EINECS 212-232-1 NSC 523272
Wiley ID 1153992