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3a(1H)-Pentalenecarboxylic acid, hexahydro-6a-hydroxy-1-methylene-, methyl ester, cis-
SpectraBase Compound ID K6m5m4UOHJI
InChI InChI=1S/C11H16O3/c1-8-4-7-10(9(12)14-2)5-3-6-11(8,10)13/h13H,1,3-7H2,2H3/t10-,11-/m1/s1
InChIKey KQTXHSMEFUXRQV-GHMZBOCLSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYQLN6UVcd7
Name 3a(1H)-Pentalenecarboxylic acid, hexahydro-6a-hydroxy-1-methylene-, methyl ester, cis-
CAS Registry Number 87635-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-8-4-7-10(9(12)14-2)5-3-6-11(8,10)13/h13H,1,3-7H2,2H3/t10-,11-/m1/s1
InChIKey KQTXHSMEFUXRQV-GHMZBOCLSA-N
Molecular Weight 196.246 g/mol
SMILES O[C@]12[C@@](C(=O)OC)(CCC2=C)CCC1
SPLASH splash10-05di-2900000000-141a43a29028fcbc0634
Source of Spectrum J-51-4200-14
Synonyms Methyl (3aS,6aR)-6a-hydroxy-1-methylenehexahydro-3a(1H)-pentalenecarboxylate Methyl 4-methylene-5-hydroxybicyclo[3.3.0]octane-1-carboxylate
Wiley ID 1193180