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(2-methoxybenzoyl)(4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium-2-yl)amide
SpectraBase Compound ID ClJFN0qjoMv
InChI InChI=1S/C14H13N3O3S/c18-14(11-6-2-3-7-12(11)17(19)20)15-16-9-10-5-1-4-8-13(10)21-16/h2-3,6-7,9H,1,4-5,8H2
InChIKey ROETZGAZDWCKHJ-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 GuNXLeMAARa
Name (2-methoxybenzoyl)(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(11-6-2-3-7-12(11)17(19)20)15-16-9-10-5-1-4-8-13(10)21-16/h2-3,6-7,9H,1,4-5,8H2
InChIKey ROETZGAZDWCKHJ-UHFFFAOYSA-N
Molecular Weight 303.336 g/mol
SMILES [N+](=O)([O-])c1ccccc1C([N-][n+]1cc2c(s1)CCCC2)=O
SPLASH splash10-0udi-0901000000-037209a2862855d633d6
Source of Spectrum JF-336-119-4g
Synonyms (2-nitrobenzoyl)(4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium-2-yl)amide
Wiley ID 1789870