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1-Allyl-1H-indole-3-carbonitrile
SpectraBase Compound ID C9dUOeEhtFM
InChI InChI=1S/C12H10N2/c1-2-7-14-9-10(8-13)11-5-3-4-6-12(11)14/h2-6,9H,1,7H2
InChIKey VBPKBZRNDIHUCK-UHFFFAOYSA-N
Mol Weight 182.23 g/mol
Molecular Formula C12H10N2
Exact Mass 182.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50fhViLTsPh
Name 1-Allyl-1H-indole-3-carbonitrile
Alternate Name(s) 1-Prop-2-enyl-3-indolecarbonitrile 1-Prop-2-enylindole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2
InChI InChI=1S/C12H10N2/c1-2-7-14-9-10(8-13)11-5-3-4-6-12(11)14/h2-6,9H,1,7H2
InChIKey VBPKBZRNDIHUCK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol202335p
Molecular Weight 182.226 g/mol
SMILES c1ccc2[n](cc(c2c1)C#N)CC=C
SPLASH splash10-001i-0900000000-140ad6644388605361d4
Source of Spectrum A1-13-5608/SMS8-3n
Wiley ID 1753870