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2-Hexadeca-1,3-diynylbenzenecarbonitrile
SpectraBase Compound ID IXG9QZbQHaS
InChI InChI=1S/C23H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24/h16-17,19-20H,2-12H2,1H3
InChIKey QMSMLNIQZNNKEL-UHFFFAOYSA-N
Mol Weight 319.49 g/mol
Molecular Formula C23H29N
Exact Mass 319.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InrPI2TejDp
Name 2-Hexadeca-1,3-diynylbenzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29N
InChI InChI=1S/C23H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24/h16-17,19-20H,2-12H2,1H3
InChIKey QMSMLNIQZNNKEL-UHFFFAOYSA-N
Molecular Weight 319.492 g/mol
SMILES C(C#CCCCCCCCCCCCC)#Cc1c(C#N)cccc1
SPLASH splash10-0a4i-0980000000-5d592a50614dac3e5212
Source of Spectrum H-2005-887-34
Synonyms 2-Hexadeca-1,3-diynylbenzonitrile
Wiley ID 1562423