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3-ALPHA-(HYDROXYMETHYL)-1-ALPHA,6-ALPHA-DIMETHYL-1-BETA-(METHOXYCARBONYL)-CYCLOHEX-4-ENE-2-ALPHA-CARBOXYLIC-ACID,GAMMA-LACTONE

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3-ALPHA-(HYDROXYMETHYL)-1-ALPHA,6-ALPHA-DIMETHYL-1-BETA-(METHOXYCARBONYL)-CYCLOHEX-4-ENE-2-ALPHA-CARBOXYLIC-ACID,GAMMA-LACTONE
SpectraBase Compound ID BQBQmLvBeKE
InChI InChI=1S/C12H16O4/c1-7-4-5-8-6-16-10(13)9(8)12(7,2)11(14)15-3/h4-5,7-9H,6H2,1-3H3
InChIKey PKBNKRYMIKLVRW-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8m7x1eBwL2E
Name 1-ALPHA-(METHOXYCARBONYL)-3-ALPHA-(HYDROXYMETHYL)-1-ALPHA,6-BETA-DIMETHYL-CYCLOHEX-4-ENE-2-BETA-CARBOXYLIC-ACID,GAMMA-LACTONE
CAS Registry Number 71028-80-3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-7-4-5-8-6-16-10(13)9(8)12(7,2)11(14)15-3/h4-5,7-9H,6H2,1-3H3
InChIKey PKBNKRYMIKLVRW-UHFFFAOYSA-N
Literature Reference Author J.D.WHITE,B.G.SHELDON
Literature Reference Citation J.ORG.CHEM.,46,2273(1981)
Literature Reference DOI 10.1021/jo00324a014
Molecular Weight 224.257 g/mol
Solvent CDCl3
Source File Reference UWWR913