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Propanedioic acid, (2,2-dichloro-1-hydroxybutyl)-, dimethyl ester
SpectraBase Compound ID FVdCmHIWxQt
InChI InChI=1S/C9H14Cl2O5/c1-4-9(10,11)6(12)5(7(13)15-2)8(14)16-3/h5-6,12H,4H2,1-3H3
InChIKey GJOFNSPHAUASGY-UHFFFAOYSA-N
Mol Weight 273.11 g/mol
Molecular Formula C9H14Cl2O5
Exact Mass 272.021829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMoISZjCRrb
Name Propanedioic acid, (2,2-dichloro-1-hydroxybutyl)-, dimethyl ester
Alternate Name(s) Dimethyl (2,2-dichloro-1-hydroxybutyl)malonate Dimethyl 2-(2,2-dichloro-1-hydroxybutyl)malonate
CAS Registry Number 65785-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14Cl2O5
InChI InChI=1S/C9H14Cl2O5/c1-4-9(10,11)6(12)5(7(13)15-2)8(14)16-3/h5-6,12H,4H2,1-3H3
InChIKey GJOFNSPHAUASGY-UHFFFAOYSA-N
Molecular Weight 273.112 g/mol
SMILES OC(C(C(=O)OC)C(=O)OC)C(Cl)(Cl)CC
SPLASH splash10-0a6r-9400000000-7c7cd550cd4f80a13a25
Source of Spectrum AN-86-894-0
Wiley ID 1275640