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4-Nitro-2-(2-thioxo-2,3-dihydro-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 89hiyYnMoWB
InChI InChI=1S/C15H7N3O4S2/c19-13-8-2-1-3-10(18(21)22)12(8)14(20)17(13)7-4-5-9-11(6-7)24-15(23)16-9/h1-6H,(H,16,23)
InChIKey XZCFYWWZCCVGFB-UHFFFAOYSA-N
Mol Weight 357.36 g/mol
Molecular Formula C15H7N3O4S2
Exact Mass 356.987798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvHa4aFSZz3
Name 4-Nitro-2-(2-thioxo-2,3-dihydro-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
Alternate Name(s) 1H-Isoindole-2,3(2H)-dione, 4-nitro-2-(2,3-dihydro-2-thioxo-6-benzothiazolyl)- 4-Nitro-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)isoindole-1,3-dione 4-Nitro-2-(2-thioxo-3H-1,3-benzothiazol-6-yl)isoindoline-1,3-dione 4-Nitro-2-(2-thioxo-3H-1,3-benzothiazol-6-yl)isoindoline-1,3-quinone
CAS Registry Number 299922-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7N3O4S2
InChI InChI=1S/C15H7N3O4S2/c19-13-8-2-1-3-10(18(21)22)12(8)14(20)17(13)7-4-5-9-11(6-7)24-15(23)16-9/h1-6H,(H,16,23)
InChIKey XZCFYWWZCCVGFB-UHFFFAOYSA-N
Molecular Weight 357.358 g/mol
SMILES N1C(Sc2cc(ccc12)N1C(c2c(N(=O)=O)cccc2C1=O)=O)=S
SPLASH splash10-002f-9401000000-7cb0c49a5840bab06615
Source of Spectrum AD-0-2532-0
Wiley ID 1432512