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2-Benzyl-4-pentenenitrile

View entire compound with spectra: 2 MS (GC)

2-Benzyl-4-pentenenitrile
SpectraBase Compound ID A8YgWG01Igc
InChI InChI=1S/C12H13N/c1-2-6-12(10-13)9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9H2
InChIKey TUQPSYPVFSITMO-UHFFFAOYSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BD3dnivriS7
Name 2-Benzyl-4-pentenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-2-6-12(10-13)9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9H2
InChIKey TUQPSYPVFSITMO-UHFFFAOYSA-N
Molecular Weight 171.243 g/mol
SMILES C(#N)C(Cc1ccccc1)CC=C
SPLASH splash10-001i-0900000000-cb6221704ce692f91291
Source of Spectrum J-61-61-4
Synonyms 2-(Phenylmethyl)-4-pentenenitrile 2-(Phenylmethyl)pent-4-enenitrile 2-Benzylpent-4-enenitrile
Wiley ID 1168138