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4-(3',3'-Dimethylbut-1'-ynyl)-benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(3',3'-Dimethylbut-1'-ynyl)-benzonitrile
SpectraBase Compound ID 4DJiLdYPa0I
InChI InChI=1S/C13H13N/c1-13(2,3)9-8-11-4-6-12(10-14)7-5-11/h4-7H,1-3H3
InChIKey XWIGNDNNNOAXFE-UHFFFAOYSA-N
Mol Weight 183.25 g/mol
Molecular Formula C13H13N
Exact Mass 183.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5125GOMjk8
Name 4-(3',3'-Dimethylbut-1'-ynyl)-benzonitrile
Alternate Name(s) 4-(3,3-dimethylbut-1-ynyl)benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N
InChI InChI=1S/C13H13N/c1-13(2,3)9-8-11-4-6-12(10-14)7-5-11/h4-7H,1-3H3
InChIKey XWIGNDNNNOAXFE-UHFFFAOYSA-N
Molecular Weight 183.254 g/mol
SMILES C(#Cc1ccc(C#N)cc1)C(C)(C)C
SPLASH splash10-014i-0900000000-6ad5695e2dde5e05c623
Source of Spectrum QE-15-1334-I
Wiley ID 1692642