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(1R,3S,7S)-1,3-Dimethyl-6-oxatricyclo[8.3.0.0(3,7)]tridec-11-ene-2,5,13-trione
SpectraBase Compound ID CmCNbBO4YHa
InChI InChI=1S/C14H16O4/c1-13-7-11(16)18-10(13)6-4-8-3-5-9(15)14(8,2)12(13)17/h3,5,8,10H,4,6-7H2,1-2H3/t8?,10-,13-,14+/m0/s1
InChIKey XKQOIRWNEKSCQU-PTPXNTMTSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9q8wefQc3nD
Name (1R,3S,7S)-1,3-Dimethyl-6-oxatricyclo[8.3.0.0(3,7)]tridec-11-ene-2,5,13-trione
Alternate Name(s) (3aS,4aR,9aS)-3a,4a-dimethyl-3a,4a,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,4,5(3H)-trione 1,3-Dimethyl-6-oxatricyclo[8.3.0.0(3,7)]tridec-11-ene-2,5,12-trione
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-13-7-11(16)18-10(13)6-4-8-3-5-9(15)14(8,2)12(13)17/h3,5,8,10H,4,6-7H2,1-2H3/t8?,10-,13-,14+/m0/s1
InChIKey XKQOIRWNEKSCQU-PTPXNTMTSA-N
Molecular Weight 248.278 g/mol
SMILES [C@]12(C([C@]3(C(C=CC3CC[C@@]1(OC(C2)=O)[H])=O)C)=O)C
SPLASH splash10-006x-9100000000-cdd1eb02d9124056fe49
Source of Spectrum KC-1992-342-19
Wiley ID 775927