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

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.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID GytdEz56UjR
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+/m1/s1
InChIKey OESRHMJIJDBVTE-FYBVGQRMSA-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 AIDmvSRyssY
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-methoxy-, methyl ester, (1.alpha.,4a.alpha.,7a.alpha.)-(.+-.)-
Alternate Name(s) Methyl (1S,4aR,7aS)-1-methoxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl ester of (+,-)-1.alpha.-methoxy-1,4a.alpha.,5,6,7,7a.alpha.-hexahydrocyclopenta(c)pyran-4-carboxylic acid
CAS Registry Number 53842-11-8
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+/m1/s1
InChIKey OESRHMJIJDBVTE-FYBVGQRMSA-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-7910000000-35bbc0380079b9fcd50c
Source of Spectrum K-111-2433-0
Wiley ID 1211188