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(3aR,6aS)-2,3,6,6a-Tetrahydro-1H-pentalene-3a-carboxylic acid
SpectraBase Compound ID 1YHahsDk98n
InChI InChI=1S/C9H12O2/c10-8(11)9-5-1-3-7(9)4-2-6-9/h1,5,7H,2-4,6H2,(H,10,11)/t7-,9-/m1/s1
InChIKey QANBMRSYYLHGIZ-VXNVDRBHSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqAjdE3DGzt
Name (3aR,6aS)-2,3,6,6a-Tetrahydro-1H-pentalene-3a-carboxylic acid
Alternate Name(s) (1R*,2S*,5S*)-Bicyclo[3.3.0]oct-7-ene-1-carboxylic acid (3aR,6aS)-2,3,6,6a-tetrahydro-3a(1H)-pentalenecarboxylic acid
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Formula C9H12O2
InChI InChI=1S/C9H12O2/c10-8(11)9-5-1-3-7(9)4-2-6-9/h1,5,7H,2-4,6H2,(H,10,11)/t7-,9-/m1/s1
InChIKey QANBMRSYYLHGIZ-VXNVDRBHSA-N
Molecular Weight 152.193 g/mol
SMILES OC([C@]12C=CC[C@@]2(CCC1)[H])=O
SPLASH splash10-001i-9500000000-5cc2ee8640e9de6343d6
Source of Spectrum QA-42-823-9
Wiley ID 862064