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(4S,5R)-3,6-Dimethyl-5,6-diacetoxy-1-cyclohexen-3-one
SpectraBase Compound ID 2HNQnFgg00
InChI InChI=1S/C12H16O5/c1-7-5-10(15)12(4,17-9(3)14)11(6-7)16-8(2)13/h5,11H,6H2,1-4H3/t11-,12-/m1/s1
InChIKey FDLNFLPDMQTOIW-VXGBXAGGSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16v9DbtBBub
Name (4S,5R)-3,6-Dimethyl-5,6-diacetoxy-1-cyclohexen-3-one
Alternate Name(s) (1R,6S)-6-(acetyloxy)-3,6-dimethyl-5-oxo-3-cyclohexen-1-yl acetate 3,6-Dimethyl-5,6-diacetoxy-1-cyclohexen-3-one Leptosphaerone a-diacetate
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Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-7-5-10(15)12(4,17-9(3)14)11(6-7)16-8(2)13/h5,11H,6H2,1-4H3/t11-,12-/m1/s1
InChIKey FDLNFLPDMQTOIW-VXGBXAGGSA-N
Molecular Weight 240.255 g/mol
SMILES [C@@]1(C(C=C(C[C@]1(OC(=O)C)[H])C)=O)(OC(=O)C)C
SPLASH splash10-05nr-3900000000-dd2108668e3453ed6fea
Source of Spectrum X2-56-1649-3
Wiley ID 1605094