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

*Links on SpectraBase are not permalinks.
3-{2-[(2-But-3-yn-1-ylphenyl)ethynyl]phenyl}propanenitrile
SpectraBase Compound ID JzeHMz98U3d
InChI InChI=1S/C21H17N/c1-2-3-9-18-10-4-6-12-20(18)15-16-21-13-7-5-11-19(21)14-8-17-22/h1,4-7,10-13H,3,8-9,14H2
InChIKey VJAVYMVZLJEHHE-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C21H17N
Exact Mass 283.1361 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 8ZR3xOPo03m
Name 3-{2-[(2-But-3-yn-1-ylphenyl)ethynyl]phenyl}propanenitrile
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.136099551 u
Formula C21H17N
InChI InChI=1S/C21H17N/c1-2-3-9-18-10-4-6-12-20(18)15-16-21-13-7-5-11-19(21)14-8-17-22/h1,4-7,10-13H,3,8-9,14H2
InChIKey VJAVYMVZLJEHHE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602747
Molecular Weight 283.374 g/mol
Quality 252
Reported Formula C21H17N
SMILES C(CC#C)C1=C(C=CC=C1)C#CC1=C(C=CC=C1)CCC#N
SPLASH splash10-001i-0090000000-df2d07ca52fda45b11f7
Source of Spectrum QE-22-SM9-12 (DOI: 10.1002/chem.201602747)
Wiley ID 1905106