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1-Pentalenecarboxylic acid, octahydro-2-oxo-, methyl ester, (3a.alpha.,6a.alpha.)-
SpectraBase Compound ID Dj6nvfqsGl7
InChI InChI=1S/C10H14O3/c1-13-10(12)9-7-4-2-3-6(7)5-8(9)11/h6-7,9H,2-5H2,1H3/t6-,7-,9?/m1/s1
InChIKey LAZJMFOMANJSIQ-UMPGHQJDSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5MzP4isQUf
Name 1-Pentalenecarboxylic acid, octahydro-2-oxo-, methyl ester, (3a.alpha.,6a.alpha.)-
Alternate Name(s) Methyl (3aR,6aR)-2-oxooctahydro-1-pentalenecarboxylate Methyl 2-oxo-1,2,3,3a.alpha.,4,5,6,6a.alpha.-octahydropentalene-1-carboxylate
CAS Registry Number 104620-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-13-10(12)9-7-4-2-3-6(7)5-8(9)11/h6-7,9H,2-5H2,1H3/t6-,7-,9?/m1/s1
InChIKey LAZJMFOMANJSIQ-UMPGHQJDSA-N
Molecular Weight 182.219 g/mol
SMILES C1(C(C[C@@]2([C@]1(CCC2)[H])[H])=O)C(=O)OC
SPLASH splash10-0zmi-0900000000-7fdefc82af2ef78f8d81
Source of Spectrum C-108-7692-15
Wiley ID 1178453