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3-(2-CYCLOHEXENYLIDENEMETHYL)-4-PENTANOLIDE (ISOMER MIXTURE)

Compound with spectra: 1 NMR

3-(2-CYCLOHEXENYLIDENEMETHYL)-4-PENTANOLIDE (ISOMER MIXTURE)
SpectraBase Compound ID 6qd6EnT92dW
InChI InChI=1S/C12H16O2/c1-9-11(8-12(13)14-9)7-10-5-3-2-4-6-10/h3,5,7,9,11H,2,4,6,8H2,1H3/b10-7-/t9-,11-/m0/s1
InChIKey AFOLOOYWBBBDOP-YHQIDKOESA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol
Enantiomer InChIKey AFOLOOYWBBBDOP-XMZCBSEDSA-N

View Spectrum of 3-(2-CYCLOHEXENYLIDENEMETHYL)-4-PENTANOLIDE (ISOMER MIXTURE)

13C NMR Spectrum
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Solvent CDCl3 chloroform-d
(3aR,7aS)-5-methyl-3a,6,7,7a-tetrahydro-3H-benzofuran-2-one
(+-)-(3S,3aR,7aR)-3-Methyl-1,3,3a,6,7,7a-hexahydroisobenzofuran-1-one
2(3H)-Benzofuranone, 7-chloro-3a,4,7,7a-tetrahydro-, (3a.alpha.,7.alpha.,7a.alpha.)-
TOPSENTOLIDE_A1
trans-4-((E)-3-Carbethoxy-2-propenyl)-5-hexyltetrahydrofuran-2-one
TOPSENTOLIDE_C1
TOPSENTOLIDE_A2
2-[(1S,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]acetic acid
TOPSENTOLIDE_C2
1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)-1-cyclopentenyl]ethanone

This compound is available in the following databases:

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