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(1S,2S,9S)-Dimethyl 12-Oxatricyclo[7.2.1.0(2,7)]dodeca-6,10-diene-4,5-dicarboxylate
SpectraBase Compound ID IBvLH0vGguW
InChI InChI=1S/C15H18O5/c1-18-14(16)11-6-8-5-9-3-4-13(20-9)10(8)7-12(11)15(17)19-2/h3-4,6,9-13H,5,7H2,1-2H3/t9-,10-,11-,12+,13+/m1/s1
InChIKey KRWHSRWTEKMHLG-KVSVUVNWSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nRr39b3V8u
Name (1S,2S,9S)-Dimethyl 12-Oxatricyclo[7.2.1.0(2,7)]dodeca-6,10-diene-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-18-14(16)11-6-8-5-9-3-4-13(20-9)10(8)7-12(11)15(17)19-2/h3-4,6,9-13H,5,7H2,1-2H3/t9-,10-,11-,12+,13+/m1/s1
InChIKey KRWHSRWTEKMHLG-KVSVUVNWSA-N
Literature Reference DOI 10.1002/adsc.200404194
Molecular Weight 278.304 g/mol
SMILES C1[C@]2(C=C[C@](O2)([C@@]2(C[C@@]([C@@](C=C12)(C(OC)=O)[H])(C(OC)=O)[H])[H])[H])[H]
SPLASH splash10-066u-8390000000-081c7e1c610c33be5165
Source of Spectrum ASC-346-1876-21
Synonyms (2R,3S,4aR,5S,8S)-dimethyl 3,4,4a,5,8,9-hexahydro-2H-5,8-epoxybenzo[7]annulene-2,3-dicarboxylate
Wiley ID 1767522