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3-(3-Nitrobenzoyl)-1,3-benzothiazole-2(3H)-thione
SpectraBase Compound ID KzHEV3h1in2
InChI InChI=1S/C14H8N2O3S2/c17-13(9-4-3-5-10(8-9)16(18)19)15-11-6-1-2-7-12(11)21-14(15)20/h1-8H
InChIKey GDCJYERMZBUNQL-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C14H8N2O3S2
Exact Mass 315.997634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ucQTdQvBRC
Name 3-(3-Nitrobenzoyl)-1,3-benzothiazole-2(3H)-thione
Alternate Name(s) (3-nitrophenyl)-(2-sulfanylidene-1,3-benzothiazol-3-yl)methanone (3-nitrophenyl)-(2-thioxo-1,3-benzothiazol-3-yl)methanone 1-(3-Nitrophenyl)-1-[2(3H)-thioxo-3-benzothiazolyl]methanone
CAS Registry Number 339239-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2O3S2
InChI InChI=1S/C14H8N2O3S2/c17-13(9-4-3-5-10(8-9)16(18)19)15-11-6-1-2-7-12(11)21-14(15)20/h1-8H
InChIKey GDCJYERMZBUNQL-UHFFFAOYSA-N
Molecular Weight 316.349 g/mol
SMILES c1ccc2N(C(Sc2c1)=S)C(c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0udi-9800000000-f21e83cc9fb3c210b983
Source of Spectrum AD-0-2532-0
Wiley ID 1422070