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Octanoic acid tridec-2-ynyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Octanoic acid tridec-2-ynyl ester
SpectraBase Compound ID 9v40bzrIGQ8
InChI InChI=1S/C21H38O2/c1-3-5-7-9-10-11-12-13-14-16-18-20-23-21(22)19-17-15-8-6-4-2/h3-15,17,19-20H2,1-2H3
InChIKey GHCSOROVZMLBDG-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8dMq8pZgL1
Name Octanoic acid, tridec-2-ynyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-5-7-9-10-11-12-13-14-16-18-20-23-21(22)19-17-15-8-6-4-2/h3-15,17,19-20H2,1-2H3
InChIKey GHCSOROVZMLBDG-UHFFFAOYSA-N
Molecular Weight 322.533 g/mol
SMILES CCCCCCCC(=O)OCC#CCCCCCCCCCC
SPLASH splash10-0a6r-9400000000-17f3066e79d387d94ae9
Source of Spectrum NP-11-3453-0
Synonyms Octanoic acid tridec-2-ynyl ester Tridec-2-ynyl octanoate
Wiley ID 1109553