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4H-Cyclopenta-1,3-dioxole-4,6-dicarboxylic acid, tetrahydro-5-hydroxy-2,2-dimethyl-, dimethyl ester, (3a.alpha.,4.alpha.,5.alpha.,6.alpha.,6a.alpha.)-

View entire compound with spectra: 1 MS (GC)

4H-Cyclopenta-1,3-dioxole-4,6-dicarboxylic acid, tetrahydro-5-hydroxy-2,2-dimethyl-, dimethyl ester, (3a.alpha.,4.alpha.,5.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID SDmNY9ydMc
InChI InChI=1S/C12H18O7/c1-12(2)18-8-5(10(14)16-3)7(13)6(9(8)19-12)11(15)17-4/h5-9,13H,1-4H3/t5-,6+,7+,8+,9-
InChIKey DSOYGARCIUGVBU-MGYJEQJYSA-N
Mol Weight 274.27 g/mol
Molecular Formula C12H18O7
Exact Mass 274.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91VTNthj1hw
Name 4H-Cyclopenta-1,3-dioxole-4,6-dicarboxylic acid, tetrahydro-5-hydroxy-2,2-dimethyl-, dimethyl ester, (3a.alpha.,4.alpha.,5.alpha.,6.alpha.,6a.alpha.)-
CAS Registry Number 112576-28-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O7
InChI InChI=1S/C12H18O7/c1-12(2)18-8-5(10(14)16-3)7(13)6(9(8)19-12)11(15)17-4/h5-9,13H,1-4H3/t5-,6+,7+,8+,9-
InChIKey DSOYGARCIUGVBU-MGYJEQJYSA-N
Molecular Weight 274.269 g/mol
SMILES O[C@]1([C@](C(=O)OC)([C@@]2([C@]([C@@]1(C(=O)OC)[H])(OC(C)(C)O2)[H])[H])[H])[H]
SPLASH splash10-06r6-9530000000-d4e3e5b9447a1cd9bfd3
Source of Spectrum J-53-941-7
Synonyms Dimethyl (3aR,4S,6R,6aS)-5-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate Dimethyl 2.alpha.,3.alpha.-[(dimethylmethylene)dioxy]-5.beta.-hydroxy-1.beta.,4.beta.-cyclopentadicarboxylate
Wiley ID 1277760