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2-Cyclopentene-1-carboxylic acid, 1-(1-methyl-4-oxo-2-cyclohexen-1-yl)-4-oxo-, methyl ester, (R*,R*)-
SpectraBase Compound ID 76hRcjR9e6w
InChI InChI=1S/C14H16O4/c1-13(6-3-10(15)4-7-13)14(12(17)18-2)8-5-11(16)9-14/h3,5-6,8H,4,7,9H2,1-2H3/t13-,14+/m0/s1
InChIKey RNHDTWNFBRUMNE-UONOGXRCSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XqpbuxA5D2
Name 2-Cyclopentene-1-carboxylic acid, 1-(1-methyl-4-oxo-2-cyclohexen-1-yl)-4-oxo-, methyl ester, (R*,R*)-
Alternate Name(s) 4-(1-Methyl-4-oxocyclohex-2-enyl)-4-methoxycarbonylcyclopent-2-enone Methyl (1R)-1-[(1R)-1-methyl-4-oxo-2-cyclohexen-1-yl]-4-oxo-2-cyclopentene-1-carboxylate
CAS Registry Number 98257-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-13(6-3-10(15)4-7-13)14(12(17)18-2)8-5-11(16)9-14/h3,5-6,8H,4,7,9H2,1-2H3/t13-,14+/m0/s1
InChIKey RNHDTWNFBRUMNE-UONOGXRCSA-N
Molecular Weight 248.278 g/mol
SMILES [C@@]1(C=CC(C1)=O)([C@]1(C=CC(CC1)=O)C)C(=O)OC
SPLASH splash10-052b-0890000000-4c8c1162db0ab72b5251
Source of Spectrum KC-1985-271-10
Wiley ID 1251076