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1,4-Epoxy-1H-benzocyclononene-2-carboxylic acid, 2,3,4,5,6,7,8,9,10,11-decahydro-, (1R*,2S*,4S*)-(.+-.)-
SpectraBase Compound ID HekfDiFZPwi
InChI InChI=1S/C14H20O3/c15-14(16)11-8-12-9-6-4-2-1-3-5-7-10(9)13(11)17-12/h11-13H,1-8H2,(H,15,16)/t11-,12-,13-/m0/s1
InChIKey VNEQDDJYMZRZJP-AVGNSLFASA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjL0ARgTfFf
Name 1,4-Epoxy-1H-benzocyclononene-2-carboxylic acid, 2,3,4,5,6,7,8,9,10,11-decahydro-, (1R*,2S*,4S*)-(.+-.)-
CAS Registry Number 119453-35-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c15-14(16)11-8-12-9-6-4-2-1-3-5-7-10(9)13(11)17-12/h11-13H,1-8H2,(H,15,16)/t11-,12-,13-/m0/s1
InChIKey VNEQDDJYMZRZJP-AVGNSLFASA-N
Molecular Weight 236.311 g/mol
SMILES OC([C@@]1([C@@]2(C3=C(CCCCCCC3)[C@](O2)([H])C1)[H])[H])=O
SPLASH splash10-000i-4900000000-dc79b05a5ff931feb873
Source of Spectrum F-44-4799-0
Synonyms (1R*,2S*,4S*)-(+-)-1,4-epoxy-bicylo[7.4.0]tridec-4a-encarboxylic acid (1S,11R,12S)-14-oxatricyclo[9.2.1.0(2,10)]tetradec-2(10)-ene-12-carboxylic acid
Wiley ID 1238386