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6-tert-Butyloxy-4.alpha.-acetoxy-5-methylbicyclo[4.3.0]non-1-en-3-one isomer
SpectraBase Compound ID Fr9IBZBYw6E
InChI InChI=1S/C16H24O4/c1-10(17)19-13-9-16(5)11(8-12(13)18)6-7-14(16)20-15(2,3)4/h8,13-14H,6-7,9H2,1-5H3/t13-,14+,16+/m1/s1
InChIKey KCENOVIKWQAACA-YCPHGPKFSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4et5un6L3zZ
Name 6-tert-Butyloxy-4.alpha.-acetoxy-5-methylbicyclo[4.3.0]non-1-en-3-one isomer
Alternate Name(s) (5R)-3a-tert-butoxy-4-methyl-6-oxo-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl acetate 7-tert-Butyloxy-4.alpha.-acetoxy-6-methylbicyclo[4.3.0]non-1-en-3-one isomer Acetic acid (3S,3aS,5R)-3-tert-butoxy-3a-methyl-6-oxo-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl ester
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Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-10(17)19-13-9-16(5)11(8-12(13)18)6-7-14(16)20-15(2,3)4/h8,13-14H,6-7,9H2,1-5H3/t13-,14+,16+/m1/s1
InChIKey KCENOVIKWQAACA-YCPHGPKFSA-N
Molecular Weight 280.364 g/mol
SMILES [C@@]12(C(=CC(=O)[C@@](C2)(OC(=O)C)[H])CC[C@@]1(OC(C)(C)C)[H])C
SPLASH splash10-0c09-4920000000-70962e8148949f055909
Source of Spectrum F-50-8418-27
Wiley ID 1284016