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Cyclopentanecarboxylic acid, 3-(3,5-hexadienyl)-4,4-dimethyl-2-oxo-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID 903U9abLyT7
InChI InChI=1S/C15H22O3/c1-5-6-7-8-9-12-13(16)11(14(17)18-4)10-15(12,2)3/h5-7,11-12H,1,8-10H2,2-4H3/b7-6+/t11-,12-/m0/s1
InChIKey XLRHIQVTPCINJG-KZQRZKTQSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9S3hEjRJqMO
Name Cyclopentanecarboxylic acid, 3-(3,5-hexadienyl)-4,4-dimethyl-2-oxo-, methyl ester, cis-(.+-.)-
Alternate Name(s) 2-Methoxycarbonyl-4,4-dimethyl-5-(3,5-hexadienyl)-cyclopentanone Methyl (1S,3R)-3-[(3E)-3,5-hexadienyl]-4,4-dimethyl-2-oxocyclopentanecarboxylate
CAS Registry Number 89116-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-5-6-7-8-9-12-13(16)11(14(17)18-4)10-15(12,2)3/h5-7,11-12H,1,8-10H2,2-4H3/b7-6+/t11-,12-/m0/s1
InChIKey XLRHIQVTPCINJG-KZQRZKTQSA-N
Molecular Weight 250.338 g/mol
SMILES [C@@]1(C([C@](CC\C=C\C=C)(C(C1)(C)C)[H])=O)(C(=O)OC)[H]
SPLASH splash10-0a4i-0900000000-11da20f73960056825d3
Source of Spectrum F-39-3243-0
Wiley ID 1253539