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1,6a(1H)-Pentalenedicarboxylic acid, hexahydro-4,4-dimethyl-5-oxo-, dimethyl ester, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1,6a(1H)-Pentalenedicarboxylic acid, hexahydro-4,4-dimethyl-5-oxo-, dimethyl ester, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID K11c8kDAGPR
InChI InChI=1S/C14H20O5/c1-13(2)9-6-5-8(11(16)18-3)14(9,7-10(13)15)12(17)19-4/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1
InChIKey SAXPEFISOFXRFP-UINNMSKDSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZZJUieqbm1
Name 1,6a(1H)-Pentalenedicarboxylic acid, hexahydro-4,4-dimethyl-5-oxo-, dimethyl ester, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
Alternate Name(s) dimethyl (1R,3aS,6aS)-4,4-dimethyl-5-oxohexahydro-1,6a(1H)-pentalenedicarboxylate Dimethyl 6,6-dimethyl-7-oxo-cis-bicyclo[3.3.0]octane-1-exo-2-dicarboxylate
CAS Registry Number 76679-91-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-13(2)9-6-5-8(11(16)18-3)14(9,7-10(13)15)12(17)19-4/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1
InChIKey SAXPEFISOFXRFP-UINNMSKDSA-N
Molecular Weight 268.309 g/mol
SMILES [C@]12([C@](C(C)(C)C(C2)=O)(CC[C@]1(C(=O)OC)[H])[H])C(=O)OC
SPLASH splash10-014i-0090000000-19e64d97f702b60df748
Source of Spectrum I-60-832-0
Wiley ID 1271985