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2-((benzothiazol-2-ylthio)acetamido)-5-(4-chlorophenylazo)thiazole
SpectraBase Compound ID 6NPCd0DRDJO
InChI InChI=1S/C18H12ClN5OS3/c19-11-5-7-12(8-6-11)23-24-16-9-20-17(28-16)22-15(25)10-26-18-21-13-3-1-2-4-14(13)27-18/h1-9H,10H2,(H,20,22,25)/b24-23+
InChIKey YLMNQPMRMASWOF-WCWDXBQESA-N
Mol Weight 445.96 g/mol
Molecular Formula C18H12ClN5OS3
Exact Mass 444.989251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRmZqcAs5NO
Name 2-((benzothiazol-2-ylthio)acetamido)-5-(4-chlorophenylazo)thiazole
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.989251247 u
Formula C18H12ClN5OS3
InChI InChI=1S/C18H12ClN5OS3/c19-11-5-7-12(8-6-11)23-24-16-9-20-17(28-16)22-15(25)10-26-18-21-13-3-1-2-4-14(13)27-18/h1-9H,10H2,(H,20,22,25)/b24-23+
InChIKey YLMNQPMRMASWOF-WCWDXBQESA-N
Instrument Name Thermo Scientific Focus/DSQII
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2022.101431
Molecular Weight 445.961 g/mol
Quality 913
SMILES N(C1=NC=C(S1)\N=N\C1=CC=C(C=C1)Cl)C(CSC=1SC2=C(N1)C=CC=C2)=O
SPLASH splash10-0a5d-3932100000-a61a75f2a29ebf867757
Source of Spectrum SCS-26-SM21-4 (DOI: 10.1016/j.jscs.2022.101431)
Wiley ID 1911011