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(4aR,6aS,9aR)-2-keto-8,8-dimethyl-1,4,4a,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carboxylic acid methyl ester
SpectraBase Compound ID 62aMszxttwg
InChI InChI=1S/C15H20O4/c1-14(2)5-9-4-10(13(17)18-3)11-7-19-12(16)6-15(9,11)8-14/h4,9,11H,5-8H2,1-3H3/t9-,11+,15+/m1/s1
InChIKey AVAFUEPRXLHQPO-VPJDZLOFSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f0dKuGDGOq
Name (4aR,6aS,9aR)-2-keto-8,8-dimethyl-1,4,4a,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carboxylic acid methyl ester
CAS Registry Number 79678-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-14(2)5-9-4-10(13(17)18-3)11-7-19-12(16)6-15(9,11)8-14/h4,9,11H,5-8H2,1-3H3/t9-,11+,15+/m1/s1
InChIKey AVAFUEPRXLHQPO-VPJDZLOFSA-N
Molecular Weight 264.321 g/mol
SMILES [C@@]123[C@](C(C(=O)OC)=C[C@@]3(CC(C1)(C)C)[H])(COC(C2)=O)[H]
SPLASH splash10-052o-3930000000-7e4face975b8064684cd
Source of Spectrum F-43-5682-10
Synonyms (4aR,6aS,9aR)-8,8-dimethyl-2-oxo-1,4,4a,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carboxylic acid methyl ester Methyl (4aR,6aS,9aR)-8,8-dimethyl-2-oxidanylidene-1,4,4a,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carboxylate Methyl (4aR,6aS,9aR)-8,8-dimethyl-2-oxo-1,4,4a,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carboxylate
Wiley ID 1267984