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Propanoic acid, 2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-3-(4-nitrophenyl)-3-oxo-, ethyl ester
SpectraBase Compound ID D9x0OYjosG1
InChI InChI=1S/C13H9ClN2O5S2/c1-2-21-13(18)9(11-12(14)15-23-22-11)10(17)7-3-5-8(6-4-7)16(19)20/h3-6H,2H2,1H3/b11-9-
InChIKey RFBBVXAPKGGLQR-LUAWRHEFSA-N
Mol Weight 372.8 g/mol
Molecular Formula C13H9ClN2O5S2
Exact Mass 371.964141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmbcCq4eV4u
Name Propanoic acid, 2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-3-(4-nitrophenyl)-3-oxo-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9ClN2O5S2
InChI InChI=1S/C13H9ClN2O5S2/c1-2-21-13(18)9(11-12(14)15-23-22-11)10(17)7-3-5-8(6-4-7)16(19)20/h3-6H,2H2,1H3/b11-9-
InChIKey RFBBVXAPKGGLQR-LUAWRHEFSA-N
Molecular Weight 372.797 g/mol
SMILES C(\C(C(c1ccc(cc1)N(=O)=O)=O)=C\1SSN=C1Cl)(OCC)=O
SPLASH splash10-0udr-7719000000-524786dbf926fec6f2e6
Source of Spectrum AD-0-2532-0
Synonyms (2Z)-2-(4-chloro-5-dithiazolylidene)-3-(4-nitrophenyl)-3-oxopropanoic acid ethyl ester (2Z)-2-(4-chlorodithiazol-5-ylidene)-3-keto-3-(4-nitrophenyl)propionic acid ethyl ester Ethyl (2Z)-2-(4-chloranyl-1,2,3-dithiazol-5-ylidene)-3-(4-nitrophenyl)-3-oxidanylidene-propanoate Ethyl (2Z)-2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-3-(4-nitrophenyl)-3-oxopropanoate Ethyl (2Z)-2-(4-chlorodithiazol-5-ylidene)-3-(4-nitrophenyl)-3-oxo-propanoate
Wiley ID 1426555