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1,4-Ethenocyclopenta[c]pyran-8-carboxylic acid, 1,3,4,4a,7,7a-hexahydro-3-oxo-, methyl ester, (1.alpha.,4.alpha.,4a.beta.,7a.beta.)-
SpectraBase Compound ID 8IjjBqrmuzc
InChI InChI=1S/C12H12O4/c1-15-11(13)9-5-8-6-3-2-4-7(6)10(9)16-12(8)14/h2-3,5-8,10H,4H2,1H3/t6-,7+,8+,10+/m0/s1
InChIKey WDAOBUCPSGCXMU-OKJYPTKPSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNuzAWTPTbt
Name 1,4-Ethenocyclopenta[c]pyran-8-carboxylic acid, 1,3,4,4a,7,7a-hexahydro-3-oxo-, methyl ester, (1.alpha.,4.alpha.,4a.beta.,7a.beta.)-
Alternate Name(s) 5-Methoxycarbonyl-3a,4,7,7a-tetrahydroindene-4,7-carbolactone Methyl (1R,2S,6R,7S)-9-oxo-8-oxatricyclo[5.2.2.0(2,6)]undeca-3,10-diene-11-carboxylate
CAS Registry Number 69697-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-15-11(13)9-5-8-6-3-2-4-7(6)10(9)16-12(8)14/h2-3,5-8,10H,4H2,1H3/t6-,7+,8+,10+/m0/s1
InChIKey WDAOBUCPSGCXMU-OKJYPTKPSA-N
Molecular Weight 220.224 g/mol
SMILES C=1([C@@]2(OC([C@](C1)([C@]1(C=CC[C@@]21[H])[H])[H])=O)[H])C(=O)OC
SPLASH splash10-066r-9800000000-adf942cf301cb9a20845
Source of Spectrum F-34-1899-0
Wiley ID 1219653