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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 H5HahgLX8h3
Name 4,5,6,7-TETRAHYDRO-2(3H)-IMINO-3-(3-NITROBENZOYLMETHYL)BENZOTHIAZOLE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 317.0831
SMILES N=C1N(CC(c2cccc(N(=O)=O)c2)=O)C=2CCCCC2S1
SPLASH splash10-001v-9320000000-830b5d90592d6396cf0d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany