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6-tert-Butyloxy-4.beta.-hydroxy-5-methylbicyclo[4.3.0]non-1-en-3-one isomer
SpectraBase Compound ID 7mZysYZ7s6w
InChI InChI=1S/C14H22O3/c1-9-12(16)11(15)8-10-6-5-7-14(9,10)17-13(2,3)4/h8-9,12,16H,5-7H2,1-4H3/t9?,12-,14?/m1/s1
InChIKey MAQXQCVQLKSINT-VTGPFMDVSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37PzuZ2fYaa
Name 6-tert-Butyloxy-4.beta.-hydroxy-5-methylbicyclo[4.3.0]non-1-en-3-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-9-12(16)11(15)8-10-6-5-7-14(9,10)17-13(2,3)4/h8-9,12,16H,5-7H2,1-4H3/t9?,12-,14?/m1/s1
InChIKey MAQXQCVQLKSINT-VTGPFMDVSA-N
Molecular Weight 238.327 g/mol
SMILES O[C@]1(C(=O)C=C2C(C1C)(OC(C)(C)C)CCC2)[H]
SPLASH splash10-0a59-9740000000-f604bc57cf844295abb6
Source of Spectrum F-50-8418-27
Synonyms (6R)-7a-tert-butoxy-6-hydroxy-7-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one Acetic acid (3S,3aS,5S)-3-tert-butoxy-3a-methyl-6-oxo-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl ester
Wiley ID 1240905