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2-([(1,1-Dimethyl-2-propynyl)oxy]carbonyl)benzoic acid
SpectraBase Compound ID DKQ6MRvk5he
InChI InChI=1S/C13H12O4/c1-4-13(2,3)17-12(16)10-8-6-5-7-9(10)11(14)15/h1,5-8H,2-3H3,(H,14,15)
InChIKey JIYFYNDLUWNHFQ-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xV6f7cE4p1
Name 2-([(1,1-Dimethyl-2-propynyl)oxy]carbonyl)benzoic acid
CAS Registry Number 296881-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-4-13(2,3)17-12(16)10-8-6-5-7-9(10)11(14)15/h1,5-8H,2-3H3,(H,14,15)
InChIKey JIYFYNDLUWNHFQ-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES OC(c1c(C(OC(C#C)(C)C)=O)cccc1)=O
SPLASH splash10-0kor-9500000000-5ae5e685f2f65b0ad4b6
Source of Spectrum AD-0-2532-0
Synonyms 2-(1,1-dimethylprop-2-ynoxycarbonyl)benzoic acid 2-(2-Methylbut-3-yn-2-yloxycarbonyl)benzoic acid 2-[2-methylbut-3-yn-2-yloxy(oxo)methyl]benzoic acid Benzene-1,2-dicarboxylic acid, 1,1-dimethyl-2-propynyl ester
Wiley ID 1428543