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1,4-Epoxy-1H-benzocyclononene-2-carboxylic acid, 2,3,4,5,6,7,8,9,10,11-decahydro-, methyl ester, (1R*,2S*,4S*)-(.+-.)-
SpectraBase Compound ID JmWoTcXJ54o
InChI InChI=1S/C15H22O3/c1-17-15(16)12-9-13-10-7-5-3-2-4-6-8-11(10)14(12)18-13/h12-14H,2-9H2,1H3/t12-,13-,14-/m0/s1
InChIKey HNLQUSZJMKDRKX-IHRRRGAJSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYX2VeWklFX
Name 1,4-Epoxy-1H-benzocyclononene-2-carboxylic acid, 2,3,4,5,6,7,8,9,10,11-decahydro-, methyl ester, (1R*,2S*,4S*)-(.+-.)-
CAS Registry Number 119453-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-17-15(16)12-9-13-10-7-5-3-2-4-6-8-11(10)14(12)18-13/h12-14H,2-9H2,1H3/t12-,13-,14-/m0/s1
InChIKey HNLQUSZJMKDRKX-IHRRRGAJSA-N
Molecular Weight 250.338 g/mol
SMILES [C@]12([C@](C[C@@](O2)([H])C2=C1CCCCCCC2)(C(=O)OC)[H])[H]
SPLASH splash10-000i-6900000000-4332e7b1ed3687423c72
Source of Spectrum F-44-4800-1
Synonyms Methyl (1R*,2S*,4S*)-(+-)-1,4-epoxy-bicylo[7.4.0]tridec-4a-encarboxylate Methyl (1S,11R,12S)-14-oxatricyclo[9.2.1.0(2,10)]tetradec-2(10)-ene-12-carboxylate
Wiley ID 1253633