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3-Methoxy-9-methoxycarbonyl-4-oxatricyclo[5.3.1.0(3,8)]undec-9-en-2-one
SpectraBase Compound ID J40nY1qBClF
InChI InChI=1S/C13H16O5/c1-16-12(15)9-6-8-5-7-3-4-18-13(17-2,10(7)9)11(8)14/h6-8,10H,3-5H2,1-2H3/t7-,8+,10-,13-/m0/s1
InChIKey PSCLMLZKQJWDFL-JZSPKSLRSA-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 7AC2dWe0TtN
Name 3-Methoxy-9-methoxycarbonyl-4-oxatricyclo[5.3.1.0(3,8)]undec-9-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-16-12(15)9-6-8-5-7-3-4-18-13(17-2,10(7)9)11(8)14/h6-8,10H,3-5H2,1-2H3/t7-,8+,10-,13-/m0/s1
InChIKey PSCLMLZKQJWDFL-JZSPKSLRSA-N
Molecular Weight 252.266 g/mol
SMILES [C@]12([C@@]3(C(C(=O)OC)=C[C@](C2=O)(C[C@@]3(CCO1)[H])[H])[H])OC
SPLASH splash10-05i0-0890000000-f1a97967b7a8a0cb56fe
Source of Spectrum J-64-4115-14
Synonyms (1S*,3R*,7S*,8R*)-3-Methoxy-9-methoxycarbonyl-4-oxatricyclo[5.3.1.0(3,8)]undec-9-en-2-one Methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.0(3,8)]undec-9-ene-9-carboxylate
Wiley ID 1530296