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(1S*,3R*,7S*,8R*)-9-Allyl-3-methoxy-4-oxatricyclo-[5.3.1.0(3,8)]undec-9-en-2-one
SpectraBase Compound ID CQCXuq2Z9le
InChI InChI=1S/C14H18O3/c1-3-4-9-7-11-8-10-5-6-17-14(16-2,12(9)10)13(11)15/h3,7,10-12H,1,4-6,8H2,2H3/t10-,11+,12-,14-/m0/s1
InChIKey YQLFCGDDZAJNJB-NRWUCQMLSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Buzm33cnDQw
Name (1S*,3R*,7S*,8R*)-9-Allyl-3-methoxy-4-oxatricyclo-[5.3.1.0(3,8)]undec-9-en-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-4-9-7-11-8-10-5-6-17-14(16-2,12(9)10)13(11)15/h3,7,10-12H,1,4-6,8H2,2H3/t10-,11+,12-,14-/m0/s1
InChIKey YQLFCGDDZAJNJB-NRWUCQMLSA-N
Literature Reference DOI 10.1002/jccs.200400155
Molecular Weight 234.295 g/mol
SMILES C=1[C@@]2(C[C@]3([C@](C1CC=C)([C@@](C2=O)(OCC3)OC)[H])[H])[H]
SPLASH splash10-0aor-0960000000-4a3d9f46c562151b6943
Source of Spectrum QA-51-1040-16
Synonyms (4S,4aR,7S,8aR)-5-allyl-8a-methoxy-3,4,4a,8a-tetrahydro-2H-4,7-methanochromen-8(7H)-one
Wiley ID 1797779