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2-Hex-1-yn-1-ylbenzoic acid
SpectraBase Compound ID 8efNnfq7WEX
InChI InChI=1S/C13H14O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h6-7,9-10H,2-4H2,1H3,(H,14,15)
InChIKey SOVPOMRAGXHBFS-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KtPfI2P7ze
Name 2-Hex-1-yn-1-ylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h6-7,9-10H,2-4H2,1H3,(H,14,15)
InChIKey SOVPOMRAGXHBFS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000044
Molecular Weight 202.253 g/mol
SMILES OC(=O)c1c(cccc1)C#CCCCC
SPLASH splash10-03xr-0910000000-2063fbe1c03e77e040af
Source of Spectrum ASC-354-133/SM43-39b
Synonyms 2-(hex-1-yn-1-yl)benzoic acid
Wiley ID 1762609