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2-Chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitrobenzamide
SpectraBase Compound ID 477hFP5dKoP
InChI InChI=1S/C21H14ClN3O3S/c1-12-2-9-18-19(10-12)29-21(24-18)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
InChIKey PBSQKWVNUFEYMS-UHFFFAOYSA-N
Mol Weight 423.87 g/mol
Molecular Formula C21H14ClN3O3S
Exact Mass 423.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0Bv3GhNeuz
Name 2-[4-(2-CHLORO-5-NITROBENZAMIDO)PHENYL]-6-METHYLBENZOTHIAZOLE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H14ClN3O3S
InChI InChI=1S/C21H14ClN3O3S/c1-12-2-9-18-19(10-12)29-21(24-18)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
InChIKey PBSQKWVNUFEYMS-UHFFFAOYSA-N
Molecular Weight 423.0442
SMILES N(C(c1cc(N(=O)=O)ccc1Cl)=O)c1ccc(cc1)-c1sc2cc(C)ccc2n1
SPLASH splash10-01s9-9820100000-3596518132a90a3e6797
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany