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1-Pentalenecarboxylic acid, octahydro-6-oxo-, methyl ester, (1.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID 5tZOZC28wRM
InChI InChI=1S/C10H14O3/c1-13-10(12)7-4-2-6-3-5-8(11)9(6)7/h6-7,9H,2-5H2,1H3/t6-,7-,9+/m1/s1
InChIKey PFXCBGRGUCTBPR-BHNWBGBOSA-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 4LEz1wmF2L8
Name 1-Pentalenecarboxylic acid, octahydro-6-oxo-, methyl ester, (1.alpha.,3a.beta.,6a.beta.)-
Alternate Name(s) Methyl (1R,3aR,6aS)-6-oxooctahydro-1-pentalenecarboxylate Methyl 8-oxobicyclo[3.3.0]octane-2-endo-carboxylate
CAS Registry Number 99278-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-13-10(12)7-4-2-6-3-5-8(11)9(6)7/h6-7,9H,2-5H2,1H3/t6-,7-,9+/m1/s1
InChIKey PFXCBGRGUCTBPR-BHNWBGBOSA-N
Molecular Weight 182.219 g/mol
SMILES [C@]1([C@]2(C(CC[C@@]2([H])CC1)=O)[H])(C(=O)OC)[H]
SPLASH splash10-0v59-9500000000-917abd15dd42842fe0bc
Source of Spectrum H-68-503-28
Wiley ID 1178462