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1,3-Pentalenedicarboxylic acid, octahydro-5,5-dimethoxy-1,3-dimethyl-2-oxo-, dimethyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-

View entire compound with spectra: 1 MS (GC)

1,3-Pentalenedicarboxylic acid, octahydro-5,5-dimethoxy-1,3-dimethyl-2-oxo-, dimethyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID F4XOYIvW7E8
InChI InChI=1S/C16H24O7/c1-14(12(18)20-3)9-7-16(22-5,23-6)8-10(9)15(2,11(14)17)13(19)21-4/h9-10H,7-8H2,1-6H3/t9-,10+,14-,15+
InChIKey MXFCXTDLLYKSCN-LMHVJCSRSA-N
Mol Weight 328.36 g/mol
Molecular Formula C16H24O7
Exact Mass 328.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oS2xH8c1sO
Name 1,3-Pentalenedicarboxylic acid, octahydro-5,5-dimethoxy-1,3-dimethyl-2-oxo-, dimethyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 82031-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O7
InChI InChI=1S/C16H24O7/c1-14(12(18)20-3)9-7-16(22-5,23-6)8-10(9)15(2,11(14)17)13(19)21-4/h9-10H,7-8H2,1-6H3/t9-,10+,14-,15+
InChIKey MXFCXTDLLYKSCN-LMHVJCSRSA-N
Molecular Weight 328.361 g/mol
SMILES [C@@]1(C([C@@](C(=O)OC)(C)[C@]2([C@@]1(CC(OC)(OC)C2)[H])[H])=O)(C(=O)OC)C
SPLASH splash10-014i-0291000000-22c680ed9567e01567b4
Source of Spectrum K-115-1443-0
Synonyms Dimethyl (1R,3S,3aS,6aR)-5,5-dimethoxy-1,3-dimethyl-2-oxooctahydro-1,3-pentalenedicarboxylate Dimethyl ester of 7,7-dimethoxy-2,4-dimethyl-3-oxobicyclo[3.3.0]octan-2,4-dicarboxylic acid
Wiley ID 1326050