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3-O-(2-chloroethyl) 1-O-methyl propanedioate

View entire compound with spectra: 1 MS (GC)

3-O-(2-chloroethyl) 1-O-methyl propanedioate
SpectraBase Compound ID AIUmI92nJgi
InChI InChI=1S/C6H9ClO4/c1-10-5(8)4-6(9)11-3-2-7/h2-4H2,1H3
InChIKey ZCRAOIUKTQMUIW-UHFFFAOYSA-N
Mol Weight 180.59 g/mol
Molecular Formula C6H9ClO4
Exact Mass 180.018936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABjWA62jMA
Name 3-O-(2-chloroethyl) 1-O-methyl propanedioate
Alternate Name(s) malonic acid O3-(2-chloroethyl) ester O1-methyl ester O3-(2-chloroethyl) O1-methyl propanedioate Propanedioic acid O3-(2-chloroethyl) ester O1-methyl ester
CAS Registry Number 131072-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9ClO4
InChI InChI=1S/C6H9ClO4/c1-10-5(8)4-6(9)11-3-2-7/h2-4H2,1H3
InChIKey ZCRAOIUKTQMUIW-UHFFFAOYSA-N
Molecular Weight 180.587 g/mol
SMILES C(C(=O)OC)C(=O)OCCCl
SPLASH splash10-0udi-2900000000-4b35f04f7007361bd3e7
Source of Spectrum F-46-5985-34
Wiley ID 1175642