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(E/Z)-Ethyl 2-(4-chloro-5H-1,2,3-dithiazole-5-ylidene)-3'-nitrobenzoylacetate
SpectraBase Compound ID JIHcnBmdwaE
InChI InChI=1S/C13H9ClN2O5S2/c1-2-21-13(18)9(11-12(14)15-23-22-11)10(17)7-4-3-5-8(6-7)16(19)20/h3-6H,2H2,1H3/b11-9+
InChIKey PVMUYLWNNQTMTJ-PKNBQFBNSA-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 3HKp9IW0ULs
Name (E/Z)-Ethyl 2-(4-chloro-5H-1,2,3-dithiazole-5-ylidene)-3'-nitrobenzoylacetate
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)7-4-3-5-8(6-7)16(19)20/h3-6H,2H2,1H3/b11-9+
InChIKey PVMUYLWNNQTMTJ-PKNBQFBNSA-N
Molecular Weight 372.797 g/mol
SMILES C=1(\C(=C\(C(c2cc(N(=O)=O)ccc2)=O)C(=O)OCC)SSN1)Cl
SPLASH splash10-0f79-0309000000-d587a8cfbc422fbd8bcf
Source of Spectrum F-55-9656-11
Synonyms Ethyl (2E)-2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-3-(3-nitrophenyl)-3-oxopropanoate
Wiley ID 838827