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3-[(m-nitroanilino)methyl]-2-benzothiazolinethione

View entire compound with spectra: 1 FTIR, 1 UV-Vis, and 2 MS (GC)

3-[(m-nitroanilino)methyl]-2-benzothiazolinethione
SpectraBase Compound ID CGcu2V4iT4o
InChI InChI=1S/C14H11N3O2S2/c18-17(19)11-5-3-4-10(8-11)15-9-16-12-6-1-2-7-13(12)21-14(16)20/h1-8,15H,9H2
InChIKey QXJUHNJHOMXNDT-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zjlMmVJakA
Name 3-(3-NITROANILINOMETHYL)-2-BENZOTHIAZOLINETHIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H11N3O2S2
InChI InChI=1S/C14H11N3O2S2/c18-17(19)11-5-3-4-10(8-11)15-9-16-12-6-1-2-7-13(12)21-14(16)20/h1-8,15H,9H2
InChIKey QXJUHNJHOMXNDT-UHFFFAOYSA-N
Molecular Weight 317.0291
SMILES N(c1cccc(N(=O)=O)c1)CN1C(=S)Sc2ccccc12
SPLASH splash10-0udi-9400000000-f8a99e7d3078bd0f31f2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany