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2-(3,5-Dinitrophenyl)-1,3-benzothiazole
SpectraBase Compound ID 7NVQcHBdBDU
InChI InChI=1S/C13H7N3O4S/c17-15(18)9-5-8(6-10(7-9)16(19)20)13-14-11-3-1-2-4-12(11)21-13/h1-7H
InChIKey CIIAWHHPQYIDSE-UHFFFAOYSA-N
Mol Weight 301.28 g/mol
Molecular Formula C13H7N3O4S
Exact Mass 301.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 168FZz1rKpe
Name 2-(3,5-Dinitrophenyl)-1,3-benzothiazole
Alternate Name(s) 2-(3,5-Dinitrophenyl)benzothiazole Benzothiazole, 2-(3,5-dinitrophenyl)-
CAS Registry Number 7466-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7N3O4S
InChI InChI=1S/C13H7N3O4S/c17-15(18)9-5-8(6-10(7-9)16(19)20)13-14-11-3-1-2-4-12(11)21-13/h1-7H
InChIKey CIIAWHHPQYIDSE-UHFFFAOYSA-N
Molecular Weight 301.276 g/mol
SMILES c1(nc2ccccc2s1)-c1cc(N(=O)=O)cc(N(=O)=O)c1
SPLASH splash10-0pb9-9652000000-36d834a90a41498f22cb
Source of Spectrum AD-0-2532-0
Wiley ID 1419424