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ETHYL-3-HYDROXY-3-METHYL-5-OXO-2-PROPYLCYCLOPENT-1-ENECARBOXYLATE;MINOR-ISOMER
SpectraBase Compound ID FFe0KPNCYjE
InChI InChI=1S/C12H18O4/c1-4-6-8-10(11(14)16-5-2)9(13)7-12(8,3)15/h15H,4-7H2,1-3H3
InChIKey VZKYZWJQMAXQRO-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOitue2GmlL
Name 3-Hydroxy-3-methyl-5-oxo-2-propyl-1-cyclopentenecarboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-4-6-8-10(11(14)16-5-2)9(13)7-12(8,3)15/h15H,4-7H2,1-3H3
InChIKey VZKYZWJQMAXQRO-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC1(C(=C(C(C1)=O)C(=O)OCC)CCC)C
SPLASH splash10-001i-1900000000-e6037c998cc48fde2468
Source of Spectrum H-2005-540-9
Synonyms 3-Hydroxy-5-keto-3-methyl-2-propyl-cyclopentene-1-carboxylic acid ethyl ester Ethyl 3-hydroxy-3-methyl-5-oxo-2-propyl-cyclopentene-1-carboxylate Ethyl 3-methyl-3-oxidanyl-5-oxidanylidene-2-propyl-cyclopentene-1-carboxylate
Wiley ID 1562203