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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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4kuC7Qm5fJy
Name 1,4-Epoxy-1H-benzocyclononene-2-carboxylic acid, 2,3,4,5,6,7,8,9,10,11-decahydro-, (1R*,2S*,4S*)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.141244501 u
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 [C@]12([C@](C[C@@](O2)([H])C2=C1CCCCCCC2)(C(=O)O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800583