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2-(1-Methylbut-3-ynoxycarbonyl)benzoic acid
SpectraBase Compound ID FZwgWrSLqkg
InChI InChI=1S/C13H12O4/c1-3-6-9(2)17-13(16)11-8-5-4-7-10(11)12(14)15/h1,4-5,7-9H,6H2,2H3,(H,14,15)
InChIKey OPTVMRGGUYXSCW-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WoZUyIH25X
Name 2-(1-Methylbut-3-ynoxycarbonyl)benzoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-3-6-9(2)17-13(16)11-8-5-4-7-10(11)12(14)15/h1,4-5,7-9H,6H2,2H3,(H,14,15)
InChIKey OPTVMRGGUYXSCW-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES OC(c1c(C(OC(CC#C)C)=O)cccc1)=O
SPLASH splash10-0a6r-6900000000-08526363dccb1e989a54
Source of Spectrum KC-0-1219-9
Synonyms 2-Pent-4-yn-2-yloxycarbonylbenzoic acid 2-[oxo(pent-4-yn-2-yloxy)methyl]benzoic acid
Wiley ID 783711
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