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Dimethyl (2Z,4Z)-2-(4-amino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2,4-hexadienedioate
SpectraBase Compound ID HuazGoMGfIk
InChI InChI=1S/C12H12ClN3O5/c1-20-9(17)5-3-4-8(12(19)21-2)16-11(18)10(13)7(14)6-15-16/h3-6H,14H2,1-2H3/b5-3-,8-4-
InChIKey KCSGSUGGCYLTGU-ZWWVTPAXSA-N
Mol Weight 313.7 g/mol
Molecular Formula C12H12ClN3O5
Exact Mass 313.046548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuY0tZ9BNJQ
Name Dimethyl (2Z,4Z)-2-(4-amino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2,4-hexadienedioate
Alternate Name(s) (2Z,4Z)-2-(4-amino-5-chloro-6-keto-pyridazin-1-yl)muconic acid dimethyl ester (2Z,4Z)-2-(4-amino-5-chloro-6-oxo-1-pyridazinyl)hexa-2,4-dienedioic acid dimethyl ester 2,4-Hexadienedioic acid, 2-(4-amino-5-chloro-6-oxo-1(6H)-pyridazinyl)-, dimethyl ester, (Z,Z)- Dimethyl (2Z,4Z)-2-(4-amino-5-chloro-6-oxo-pyridazin-1-yl)hexa-2,4-dienedioate Dimethyl (2Z,4Z)-2-(4-azanyl-5-chloranyl-6-oxidanylidene-pyridazin-1-yl)hexa-2,4-dienedioate
CAS Registry Number 77572-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O5
InChI InChI=1S/C12H12ClN3O5/c1-20-9(17)5-3-4-8(12(19)21-2)16-11(18)10(13)7(14)6-15-16/h3-6H,14H2,1-2H3/b5-3-,8-4-
InChIKey KCSGSUGGCYLTGU-ZWWVTPAXSA-N
Molecular Weight 313.697 g/mol
SMILES NC=1C=NN(\C(=C/C=C\C(OC)=O)C(=O)OC)C(C1Cl)=O
SPLASH splash10-0fw9-7291000000-32c292b84d8ae9f63c02
Source of Spectrum W5-0-0-0
Wiley ID 1314035