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2-Octynoic acid

View entire compound with spectra: 2 NMR, 4 FTIR, 2 Raman, 1 UV-Vis, and 2 MS (GC)

2-Octynoic acid
SpectraBase Compound ID GwyTWHYbXhZ
InChI InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)
InChIKey BQDKCWCMDBMLEH-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dB0Dc8MoNF
Name 2-Octynoic acid
CAS Registry Number 5663-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)
InChIKey BQDKCWCMDBMLEH-UHFFFAOYSA-N
Molecular Weight 140.182 g/mol
SMILES OC(C#CCCCCC)=O
SPLASH splash10-0036-9000000000-1fe3e4bfd599c13dc00c
Synonyms 2-Octyn-1-oic acid m-Pentyl propiolate Oct-2-ynoic acid Pentylpropiolic acid Propiolic acid, pentyl ester Propiolic acid, pentyl-
Wiley ID 1481418