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Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(2-chlorophenyl)-, methyl ester
SpectraBase Compound ID Ju8tcRAadcN
InChI InChI=1S/C13H13ClO2/c1-16-11(15)13-6-12(7-13,8-13)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3
InChIKey VCEVZTXCTWFMSV-UHFFFAOYSA-N
Mol Weight 236.7 g/mol
Molecular Formula C13H13ClO2
Exact Mass 236.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vgxlWrlxVk
Name Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(2-chlorophenyl)-, methyl ester
Alternate Name(s) 1-(o-chlorophenyl)-3-(methoxycarbony)bicyclo[1.1.1]pentane Methyl 3-(2-chlorophenyl)bicyclo[1.1.1]pentane-1-carboxylate
CAS Registry Number 131515-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO2
InChI InChI=1S/C13H13ClO2/c1-16-11(15)13-6-12(7-13,8-13)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3
InChIKey VCEVZTXCTWFMSV-UHFFFAOYSA-N
Molecular Weight 236.698 g/mol
SMILES C12(CC(C2)(c2c(Cl)cccc2)C1)C(=O)OC
SPLASH splash10-0006-5900000000-c394882fb289d00dd997
Source of Spectrum J-56-316-32
Wiley ID 1237943