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3a(1H)-Pentalenecarboxylic acid, 2,3,4,6a-tetrahydro-6a-hydroxy-6-methyl-, methyl ester, cis-
SpectraBase Compound ID 2rwINfl00Or
InChI InChI=1S/C11H16O3/c1-8-4-7-10(9(12)14-2)5-3-6-11(8,10)13/h4,13H,3,5-7H2,1-2H3/t10-,11-/m0/s1
InChIKey KBZYMXKPMYXFAG-QWRGUYRKSA-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 H6bpFJ8dEeY
Name 3a(1H)-Pentalenecarboxylic acid, 2,3,4,6a-tetrahydro-6a-hydroxy-6-methyl-, methyl ester, cis-
Alternate Name(s) Methyl (3aR,6aS)-6a-hydroxy-6-methyl-2,3,4,6a-tetrahydro-3a(1H)-pentalenecarboxylate Methyl 4-methyl-5-hydroxybicyclo[3.3.0]oct-3-ene-1-carboxylate
CAS Registry Number 104323-52-6
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/h4,13H,3,5-7H2,1-2H3/t10-,11-/m0/s1
InChIKey KBZYMXKPMYXFAG-QWRGUYRKSA-N
Molecular Weight 196.246 g/mol
SMILES O[C@@]12[C@](C(=O)OC)(CC=C2C)CCC1
SPLASH splash10-004i-1900000000-0fa3be576e18869726de
Source of Spectrum J-51-4200-16
Wiley ID 1193181