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2-(1H-Indol-3-yl)-2-methylpropanenitrile
SpectraBase Compound ID 1AqTX6ObR6Q
InChI InChI=1S/C12H12N2/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11/h3-7,14H,1-2H3
InChIKey CIPHSCQFFHSUGX-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0f5ZdUytL2
Name 2-(1H-Indol-3-yl)-2-methylpropanenitrile
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2
InChI InChI=1S/C12H12N2/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11/h3-7,14H,1-2H3
InChIKey CIPHSCQFFHSUGX-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 184.242 g/mol
Reported Formula C12H12N2
SMILES [nH]1cc(c2c1cccc2)C(C)(C)C#N
SPLASH splash10-014i-0900000000-40b19038a59aa98f5766
Source of Spectrum JOC-86-8394-3aa
Wiley ID 1867809