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1,4-Pentalenedicarboxylic acid, 3,3a,6,6a-tetrahydro-2,5-dihydroxy-, dimethyl ester, cis-
SpectraBase Compound ID Dq9RtSgbqdU
InChI InChI=1S/C12H14O6/c1-17-11(15)9-5-3-8(14)10(12(16)18-2)6(5)4-7(9)13/h5-6,13-14H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey PYJGYFRREXXUPB-PHDIDXHHSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKHt3zkWyOz
Name 1,4-Pentalenedicarboxylic acid, 3,3a,6,6a-tetrahydro-2,5-dihydroxy-, dimethyl ester, cis-
CAS Registry Number 114057-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-17-11(15)9-5-3-8(14)10(12(16)18-2)6(5)4-7(9)13/h5-6,13-14H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey PYJGYFRREXXUPB-PHDIDXHHSA-N
Molecular Weight 254.238 g/mol
SMILES OC1=C([C@]2([C@](C(=C(C2)O)C(=O)OC)(C1)[H])[H])C(=O)OC
SPLASH splash10-0fdo-0490000000-d1eb1bbd7e10723eace2
Source of Spectrum J-53-2337-21
Synonyms Dimethyl (3aR,6aR)-2,5-dihydroxy-3,3a,6,6a-tetrahydro-1,4-pentalenedicarboxylate Dimethyl 3,7-dioxo-cis-bicyclo[3.3.0]octane-2,6-dicarboxylate Dimethyl (3aR,6aR)-2,5-dihydroxy-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate Dimethyl (3aR,6aR)-2,5-bis(oxidanyl)-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate
Wiley ID 1257372