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1,4-Pentalenedicarboxylic acid, octahydro-, dimethyl ester, (1.alpha.,3a.beta.,4.alpha.,6a.beta.)-
SpectraBase Compound ID 8vmXWgyAVle
InChI InChI=1S/C12H18O4/c1-15-11(13)9-5-3-8-7(9)4-6-10(8)12(14)16-2/h7-10H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey DKEZLLCURMTOHZ-AXTSPUMRSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0XHjMOSnRI
Name 1,4-Pentalenedicarboxylic acid, octahydro-, dimethyl ester, (1.alpha.,3a.beta.,4.alpha.,6a.beta.)-
CAS Registry Number 17572-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-11(13)9-5-3-8-7(9)4-6-10(8)12(14)16-2/h7-10H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey DKEZLLCURMTOHZ-AXTSPUMRSA-N
Molecular Weight 226.272 g/mol
SMILES [C@@]12([C@@]([C@](C(=O)OC)(CC2)[H])(CC[C@]1(C(=O)OC)[H])[H])[H]
SPLASH splash10-069u-1900000000-5d757b07cd9248a1b06e
Source of Spectrum C-103-2309-0
Synonyms Dimethyl (1R,3aS,4R,6aS)-octahydro-1,4-pentalenedicarboxylate Dimethyl ester of cis-bicyclo[3.3.0]octane-2,6-dicarboxylic acid
Wiley ID 1227262