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methyl (1S,2R,6R,8S)-1-methyl-5,9-dioxo-10-oxatricyclo[6.2.1.0(2,6)]undecane-8-carboxylate
SpectraBase Compound ID 8BkHeFf1Gu1
InChI InChI=1S/C13H16O5/c1-12-6-13(10(15)17-2,11(16)18-12)5-7-8(12)3-4-9(7)14/h7-8H,3-6H2,1-2H3/t7-,8-,12+,13+/m1/s1
InChIKey KIUMIUHPFAGGBH-YNVKYCFSSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wMXZovEwiO
Name methyl (1S,2R,6R,8S)-1-methyl-5,9-dioxo-10-oxatricyclo[6.2.1.0(2,6)]undecane-8-carboxylate
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-12-6-13(10(15)17-2,11(16)18-12)5-7-8(12)3-4-9(7)14/h7-8H,3-6H2,1-2H3/t7-,8-,12+,13+/m1/s1
InChIKey KIUMIUHPFAGGBH-YNVKYCFSSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01157
Molecular Weight 252.266 g/mol
SMILES C1[C@]2(C(OC)=O)C(=O)O[C@@](C)(C2)[C@]2([H])CCC(=O)[C@]12[H]
SPLASH splash10-004m-3910000000-21b509e686a69130d2c1
Source of Spectrum A1-23-SM8-14a
Wiley ID 1868012