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Propanedioic acid, methyl(1,2,3,4,4-pentachloro-1,3-butadienyl)-, diethyl ester
SpectraBase Compound ID IZLG85EIwIq
InChI InChI=1S/C12H13Cl5O4/c1-4-20-10(18)12(3,11(19)21-5-2)8(15)6(13)7(14)9(16)17/h4-5H2,1-3H3/b8-6-
InChIKey DVPKJFQXZGWPNT-VURMDHGXSA-N
Mol Weight 398.5 g/mol
Molecular Formula C12H13Cl5O4
Exact Mass 395.925647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K620pNzcXfL
Name Propanedioic acid, methyl(1,2,3,4,4-pentachloro-1,3-butadienyl)-, diethyl ester
CAS Registry Number 77958-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Cl5O4
InChI InChI=1S/C12H13Cl5O4/c1-4-20-10(18)12(3,11(19)21-5-2)8(15)6(13)7(14)9(16)17/h4-5H2,1-3H3/b8-6-
InChIKey DVPKJFQXZGWPNT-VURMDHGXSA-N
Molecular Weight 398.497 g/mol
SMILES C(\C(=C/(C(C(=O)OCC)(C(=O)OCC)C)Cl)Cl)(=C(Cl)Cl)Cl
SPLASH splash10-02t9-0098000000-23ea7a77a9e1c5cdb09b
Source of Spectrum C-106-3558-0
Synonyms Diethyl 2-methyl-2-[(1Z)-1,2,3,4,4-pentachloro-1,3-butadienyl]malonate Ethyl 2,2-dimethyl-5,6,6-trichlorohex-3-yn-5-enoate
Wiley ID 1367209