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2-Keto-1-pent-4-ynyl-cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID LbGwSQ3Ev0Q
InChI InChI=1S/C12H16O3/c1-3-4-5-8-12(11(14)15-2)9-6-7-10(12)13/h1H,4-9H2,2H3
InChIKey DBTWJUDGQPAJNV-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmFmxUHGSSX
Name 2-Keto-1-pent-4-ynyl-cyclopentanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-5-8-12(11(14)15-2)9-6-7-10(12)13/h1H,4-9H2,2H3
InChIKey DBTWJUDGQPAJNV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 208.257 g/mol
SMILES C1(C(CCC1)=O)(C(=O)OC)CCCC#C
SPLASH splash10-0596-8900000000-e6d0a5534b89f277e1d8
Source of Spectrum ASC-347-1587/SM20-20_1
Synonyms 2-Oxo-1-pent-4-ynylcyclopentane carboxylic acid methyl ester 2-Oxo-1-pent-4-ynyl-1-cyclopentanecarboxylic acid methyl ester Methyl 2-oxidanylidene-1-pent-4-ynyl-cyclopentane-1-carboxylate Methyl 2-oxo-1-pent-4-ynyl-cyclopentanecarboxylate Methyl 2-oxo-1-(pent-4-yn-1-yl)cyclopentanecarboxylate Methyl 2-oxo-1-pent-4-ynylcyclopentane-1-carboxylate
Wiley ID 1767758