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2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(3-nitrophenyl)ethanone

View entire compound with spectra: 2 MS (GC)

2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(3-nitrophenyl)ethanone
SpectraBase Compound ID INOqWsXtQs2
InChI InChI=1S/C15H15N3O3S/c16-15-17(12-6-1-2-7-14(12)22-15)9-13(19)10-4-3-5-11(8-10)18(20)21/h3-5,8,16H,1-2,6-7,9H2
InChIKey FIHNBKWGVZJOGX-UHFFFAOYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C15H15N3O3S
Exact Mass 317.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnoVeziY1Zc
Name 2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(3-nitrophenyl)ethanone
Alternate Name(s) 2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(3-nitrophenyl)ethanone 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(3-nitrophenyl)ethanone 4,5,6,7-Tetrahydro-2(3H)-imino-3-(3-nitrobenzoylmethyl)benzothiazole
CAS Registry Number 206983-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O3S
InChI InChI=1S/C15H15N3O3S/c16-15-17(12-6-1-2-7-14(12)22-15)9-13(19)10-4-3-5-11(8-10)18(20)21/h3-5,8,16H,1-2,6-7,9H2
InChIKey FIHNBKWGVZJOGX-UHFFFAOYSA-N
Molecular Weight 317.363 g/mol
SMILES N=C1SC=2CCCCC2N1CC(=O)c1cc(ccc1)N(=O)=O
SPLASH splash10-001v-9320000000-6c1387d08f37880eb075
Wiley ID 1469047