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1-Pentalenecarboxylic acid, 1,3a,4,5,6,6a-hexahydro-6-hydroxy-, (1.alpha.,3a.alpha.,6.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID 8Fu1p5p2aBO
InChI InChI=1S/C9H12O3/c10-7-4-2-5-1-3-6(8(5)7)9(11)12/h1,3,5-8,10H,2,4H2,(H,11,12)/t5-,6+,7+,8+/m0/s1
InChIKey INXAWRVVSGGLJF-LXGUWJNJSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IPZPalS4ZK
Name 1-Pentalenecarboxylic acid, 1,3a,4,5,6,6a-hexahydro-6-hydroxy-, (1.alpha.,3a.alpha.,6.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 127268-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-7-4-2-5-1-3-6(8(5)7)9(11)12/h1,3,5-8,10H,2,4H2,(H,11,12)/t5-,6+,7+,8+/m0/s1
InChIKey INXAWRVVSGGLJF-LXGUWJNJSA-N
Molecular Weight 168.192 g/mol
SMILES O[C@]1([C@@]2([C@@](C=C[C@]2(C(=O)O)[H])(CC1)[H])[H])[H]
SPLASH splash10-0pb9-0900000000-7dab89248f36ff9770e4
Source of Spectrum F-45-5664-35
Synonyms (1R,3aR,6R,6aR)-6-hydroxy-1,3a,4,5,6,6a-hexahydro-1-pentalenecarboxylic acid 6.alpha.-hydroxybicyclo[3.3.0]oct-2-en-4.beta.-oic acid
Wiley ID 1164360