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3a,6a(1H,4H)-Pentalenedicarboxylic acid, 2,3-dihydro-, dimethyl ester, cis-
SpectraBase Compound ID 4kSWMqMnPIB
InChI InChI=1S/C12H16O4/c1-15-9(13)11-5-3-7-12(11,8-4-6-11)10(14)16-2/h3,5H,4,6-8H2,1-2H3/t11-,12+/m1/s1
InChIKey BVVIXZRCWGSXGC-NEPJUHHUSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUDrgBN7xpE
Name 3a,6a(1H,4H)-Pentalenedicarboxylic acid, 2,3-dihydro-, dimethyl ester, cis-
CAS Registry Number 91758-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-9(13)11-5-3-7-12(11,8-4-6-11)10(14)16-2/h3,5H,4,6-8H2,1-2H3/t11-,12+/m1/s1
InChIKey BVVIXZRCWGSXGC-NEPJUHHUSA-N
Molecular Weight 224.256 g/mol
SMILES [C@@]12([C@@](C(=O)OC)(CC=C2)CCC1)C(=O)OC
SPLASH splash10-08fr-0900000000-601e4be808283567b664
Source of Spectrum I-62-1192-0
Synonyms Dimethyl (3aR,6aS)-2,3-dihydro-3a,6a(1H,6H)-pentalenedicarboxylate Dimethyl cis-bicyclo[3.3.0]-oct-2-ene-1,5-dicarboxylate
Wiley ID 1224939