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

*Links on SpectraBase are not permalinks.
4-(3-Ethynylbenzoyl)benzonitrile
SpectraBase Compound ID BI1IxaP4hpO
InChI InChI=1S/C16H9NO/c1-2-12-4-3-5-15(10-12)16(18)14-8-6-13(11-17)7-9-14/h1,3-10H
InChIKey ASMPYMUVYMCKLY-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C16H9NO
Exact Mass 231.068414 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 LR0uL3XTq0u
Name 4-(3-Ethynylbenzoyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO
InChI InChI=1S/C16H9NO/c1-2-12-4-3-5-15(10-12)16(18)14-8-6-13(11-17)7-9-14/h1,3-10H
InChIKey ASMPYMUVYMCKLY-UHFFFAOYSA-N
Molecular Weight 231.254 g/mol
SMILES C(c1ccc(cc1)C(c1cc(ccc1)C#C)=O)#N
SPLASH splash10-003r-0790000000-b9165cef421f875c6afe
Source of Spectrum J-64-6903-12
Synonyms 4-(3-Ethynylphenyl)carbonylbenzenecarbonitrile 4-[(3-ethynylphenyl)-oxomethyl]benzonitrile
Wiley ID 1530994