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Benzenehexanenitrile

View entire compound with spectra: 2 MS (GC)

Benzenehexanenitrile
SpectraBase Compound ID KzggEHyUjow
InChI InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8H2
InChIKey BSJKBXNHLQEFMG-UHFFFAOYSA-N
Mol Weight 173.26 g/mol
Molecular Formula C12H15N
Exact Mass 173.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWhjG8uwaOA
Name Benzenehexanenitrile
Alternate Name(s) 6-Phenylhexanenitrile
CAS Registry Number 17777-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N
InChI InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8H2
InChIKey BSJKBXNHLQEFMG-UHFFFAOYSA-N
Molecular Weight 173.259 g/mol
SMILES C(#N)CCCCCc1ccccc1
SPLASH splash10-0006-9600000000-9cb0b13679ef7222df70
Source of Spectrum H-57-464-29
Wiley ID 1169928