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(4-nitrobenzoyl)(4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium-2-yl)amide

View entire compound with spectra: 1 MS (GC)

(4-nitrobenzoyl)(4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium-2-yl)amide
SpectraBase Compound ID JlLlqlkDf07
InChI InChI=1S/C14H13N3O3S/c18-14(10-5-7-12(8-6-10)17(19)20)15-16-9-11-3-1-2-4-13(11)21-16/h5-9H,1-4H2
InChIKey LKDIFHKQHMEPMT-UHFFFAOYSA-N
Mol Weight 303.34 g/mol
Molecular Formula C14H13N3O3S
Exact Mass 303.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GetebNZHFQQ
Name (4-nitrobenzoyl)(4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium-2-yl)amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O3S
InChI InChI=1S/C14H13N3O3S/c18-14(10-5-7-12(8-6-10)17(19)20)15-16-9-11-3-1-2-4-13(11)21-16/h5-9H,1-4H2
InChIKey LKDIFHKQHMEPMT-UHFFFAOYSA-N
Molecular Weight 303.336 g/mol
SMILES [N+](=O)([O-])c1ccc(C([N-][n+]2cc3c(s2)CCCC3)=O)cc1
SPLASH splash10-0udi-0915000000-4293924b272f30e27306
Source of Spectrum JF-336-119-4n
Wiley ID 1789876