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1-Pentalenecarboxylic acid, 6-(acetyloxy)octahydro-, (1.alpha.,3a.alpha.,6.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID 6zWMqY809T7
InChI InChI=1S/C11H16O4/c1-6(12)15-9-5-3-7-2-4-8(10(7)9)11(13)14/h7-10H,2-5H2,1H3,(H,13,14)/t7-,8+,9-,10-/m0/s1
InChIKey XLBCWBXBEHQVLU-JXUBOQSCSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESVpEbajpOx
Name 1-Pentalenecarboxylic acid, 6-(acetyloxy)octahydro-, (1.alpha.,3a.alpha.,6.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 127268-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-6(12)15-9-5-3-7-2-4-8(10(7)9)11(13)14/h7-10H,2-5H2,1H3,(H,13,14)/t7-,8+,9-,10-/m0/s1
InChIKey XLBCWBXBEHQVLU-JXUBOQSCSA-N
Molecular Weight 212.245 g/mol
SMILES OC([C@]1([C@]2([C@@](OC(=O)C)(CC[C@@]2(CC1)[H])[H])[H])[H])=O
SPLASH splash10-0006-9000000000-55e80cd86152afe58398
Source of Spectrum F-45-5664-39
Synonyms (1R,3aS,6S,6aS)-6-(acetyloxy)octahydro-1-pentalenecarboxylic acid 6.alpha.-acetoxybicyclo[3.3.0]octane-4.beta.-carboxylic acid
Wiley ID 1211208