For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Pentanoylbenzonitrile
SpectraBase Compound ID 7OJNNUBqaNz
InChI InChI=1S/C12H13NO/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3
InChIKey SNDVNNGWNNDYHH-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9xbGVOcH38g
Name 4-Pentanoylbenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3
InChIKey SNDVNNGWNNDYHH-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES C(c1ccc(cc1)C(CCCC)=O)#N
SPLASH splash10-001i-0900000000-f04e1f164389fd59c3fb
Source of Spectrum F-69-942-0
Synonyms 4-(1-Oxopentyl)benzonitrile 4-Pentanoylbenzenecarbonitrile 4-Valerylbenzonitrile
Wiley ID 1594629