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Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 2-chloro-, dimethyl ester
SpectraBase Compound ID BMtNPReVpYZ
InChI InChI=1S/C9H11ClO4/c1-13-6(11)8-3-9(4-8,5(8)10)7(12)14-2/h5H,3-4H2,1-2H3
InChIKey BMZRSTKBFDTGKI-UHFFFAOYSA-N
Mol Weight 218.64 g/mol
Molecular Formula C9H11ClO4
Exact Mass 218.034587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ypozacvOSx
Name Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 2-chloro-, dimethyl ester
Alternate Name(s) Dimethyl 2-chlorobicyclo[1.1.1]pentane-1,3-dicarboxylate
CAS Registry Number 119327-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11ClO4
InChI InChI=1S/C9H11ClO4/c1-13-6(11)8-3-9(4-8,5(8)10)7(12)14-2/h5H,3-4H2,1-2H3
InChIKey BMZRSTKBFDTGKI-UHFFFAOYSA-N
Molecular Weight 218.636 g/mol
SMILES C12(C(Cl)C(C2)(C(=O)OC)C1)C(=O)OC
SPLASH splash10-0aor-9200000000-391bff98cb8aa5c3c365
Source of Spectrum J-54-2053-6
Wiley ID 1217051