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Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-methoxy-, methyl ester, (1.alpha.,4a.beta.,7a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-methoxy-, methyl ester, (1.alpha.,4a.beta.,7a.beta.)-(.+-.)-
SpectraBase Compound ID BlsQC8rOEpU
InChI InChI=1S/C11H16O4/c1-13-10(12)9-6-15-11(14-2)8-5-3-4-7(8)9/h6-8,11H,3-5H2,1-2H3/t7-,8+,11-/m0/s1
InChIKey OESRHMJIJDBVTE-RNSXUZJQSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9EaBnjiijM
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-methoxy-, methyl ester, (1.alpha.,4a.beta.,7a.beta.)-(.+-.)-
Alternate Name(s) Methyl (1S,4aS,7aR)-1-methoxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl ester of (+,-) -1.beta.-methoxy-1,4a.alpha.,5,6,7,7a.alpha.-herahydrocyclopenta(c)pyran-4-carboxylic acid
CAS Registry Number 53862-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-13-10(12)9-6-15-11(14-2)8-5-3-4-7(8)9/h6-8,11H,3-5H2,1-2H3/t7-,8+,11-/m0/s1
InChIKey OESRHMJIJDBVTE-RNSXUZJQSA-N
Molecular Weight 212.245 g/mol
SMILES C1(=CO[C@@]([C@]2([C@@]1(CCC2)[H])[H])(OC)[H])C(=O)OC
SPLASH splash10-001i-7900000000-c49efb9d3e475c031ab4
Source of Spectrum K-111-2434-0
Wiley ID 1211189