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1,3-Cyclopentadiene-1-carboxylic acid, 5-(1-hydroxyethylidene)-2-methyl-, methyl ester
SpectraBase Compound ID 66eMALWqRQF
InChI InChI=1S/C10H12O3/c1-6-4-5-8(7(2)11)9(6)10(12)13-3/h4-5,11H,1-3H3/b8-7+
InChIKey XKYCVRBVERCRAM-BQYQJAHWSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTyb9epDV2l
Name 1,3-Cyclopentadiene-1-carboxylic acid, 5-(1-hydroxyethylidene)-2-methyl-, methyl ester
CAS Registry Number 14374-52-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6-4-5-8(7(2)11)9(6)10(12)13-3/h4-5,11H,1-3H3/b8-7+
InChIKey XKYCVRBVERCRAM-BQYQJAHWSA-N
Molecular Weight 180.203 g/mol
SMILES O\C(=C\1C(C(OC)=O)=C(C)C=C1)C
SPLASH splash10-001i-2900000000-1f2c7905f6a85459cbd6
Source of Spectrum T-67-1684-0
Synonyms Methyl (5E)-5-(1-hydroxyethylidene)-2-methyl-1,3-cyclopentadiene-1-carboxylate
Wiley ID 1176075