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6-Octadecynenitrile
SpectraBase Compound ID Lm2WTxlT0Vv
InChI InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-11,14-17H2,1H3
InChIKey NPUREDFPSYXSQW-UHFFFAOYSA-N
Mol Weight 261.45 g/mol
Molecular Formula C18H31N
Exact Mass 261.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60dRsg4jOtH
Name 6-Octadecynenitrile
CAS Registry Number 56600-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31N
InChI InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-11,14-17H2,1H3
InChIKey NPUREDFPSYXSQW-UHFFFAOYSA-N
Molecular Weight 261.453 g/mol
SMILES C(CCC#CCCCCC#N)CCCCCCCC
SPLASH splash10-001l-9600000000-a5cbb308251d74266a0d
Source of Spectrum EP-5369-0-0
Synonyms Octadec-6-ynenitrile
Wiley ID 1265080