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1H-Indole-2-acetonitrile, .alpha.-(2,2-dimethylpropylidene)-, (Z)-
SpectraBase Compound ID FQOPQu8wfez
InChI InChI=1S/C15H16N2/c1-15(2,3)9-12(10-16)14-8-11-6-4-5-7-13(11)17-14/h4-9,17H,1-3H3/b12-9+
InChIKey DKJPCRXIZVPAOJ-FMIVXFBMSA-N
Mol Weight 224.31 g/mol
Molecular Formula C15H16N2
Exact Mass 224.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOyaJkM0VuN
Name 1H-Indole-2-acetonitrile, .alpha.-(2,2-dimethylpropylidene)-, (Z)-
Alternate Name(s) (2Z)-2-(1H-indol-2-yl)-4,4-dimethyl-2-pentenenitrile 3-Butyl-2-indolylacrylonitrile 3-tert-Butyl-2-indolylacrylonitrile
CAS Registry Number 113373-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2
InChI InChI=1S/C15H16N2/c1-15(2,3)9-12(10-16)14-8-11-6-4-5-7-13(11)17-14/h4-9,17H,1-3H3/b12-9+
InChIKey DKJPCRXIZVPAOJ-FMIVXFBMSA-N
Molecular Weight 224.307 g/mol
SMILES [nH]1c2ccccc2cc1\C(=C\C(C)(C)C)C#N
SPLASH splash10-0j59-0930000000-c34ce1a96b0c04e90026
Source of Spectrum F-43-3243-7
Wiley ID 1225861