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(Z)-tert-Butyl 2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-2-cyanoacetate
SpectraBase Compound ID 8Gjfr7HbVK1
InChI InChI=1S/C9H9ClN2O2S2/c1-9(2,3)14-8(13)5(4-11)6-7(10)12-16-15-6/h1-3H3/b6-5-
InChIKey GTLIISAOXAQORH-WAYWQWQTSA-N
Mol Weight 276.76 g/mol
Molecular Formula C9H9ClN2O2S2
Exact Mass 275.979398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GvDlEAMHI8
Name (Z)-tert-Butyl 2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-2-cyanoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9ClN2O2S2
InChI InChI=1S/C9H9ClN2O2S2/c1-9(2,3)14-8(13)5(4-11)6-7(10)12-16-15-6/h1-3H3/b6-5-
InChIKey GTLIISAOXAQORH-WAYWQWQTSA-N
Literature Reference DOI 10.1039/c3ra47261b
Molecular Weight 276.756 g/mol
SMILES C=1(\C(SSN1)=C\(C(OC(C)(C)C)=O)C#N)Cl
SPLASH splash10-05g0-6490000000-64bcb71a624ba85bee26
Source of Spectrum RSA-4-7742-17
Synonyms (2Z)-2-(4-chloro-5-dithiazolylidene)-2-cyanoacetic acid tert-butyl ester tert-Butyl (2Z)-2-(4-chlorodithiazol-5-ylidene)-2-cyanoacetate tert-Butyl (2Z)-2-(4-chlorodithiazol-5-ylidene)-2-cyano-acetate tert-Butyl (2Z)-2-(4-chloranyl-1,2,3-dithiazol-5-ylidene)-2-cyano-ethanoate
Wiley ID 1747903