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9-Octadecynenitrile
SpectraBase Compound ID 6CmBGKAIPPL
InChI InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-8,11-17H2,1H3
InChIKey SNVAOTFGBPQRDB-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 B3XrimynYiO
Name 9-Octadecynenitrile
CAS Registry Number 56599-96-3
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/h2-8,11-17H2,1H3
InChIKey SNVAOTFGBPQRDB-UHFFFAOYSA-N
Molecular Weight 261.453 g/mol
SMILES C(#CCCCCCCCC#N)CCCCCCCC
SPLASH splash10-0lec-9200000000-b872f7826d77d105bd8c
Source of Spectrum EP-5355-0-0
Synonyms Octadec-9-ynenitrile
Wiley ID 1265081