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2-Acetyl-4-(4'-methylphenyl)-1,3,4-benzothiadiazepin-5(4H)-one
SpectraBase Compound ID Jl7haL0dz2s
InChI InChI=1S/C17H14N2O2S/c1-11-7-9-13(10-8-11)19-17(21)14-5-3-4-6-15(14)22-16(18-19)12(2)20/h3-10H,1-2H3
InChIKey TZERZHLZILCKKK-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C17H14N2O2S
Exact Mass 310.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DI5LLSgTgVh
Name 2-Acetyl-4-(4'-methylphenyl)-1,3,4-benzothiadiazepin-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O2S
InChI InChI=1S/C17H14N2O2S/c1-11-7-9-13(10-8-11)19-17(21)14-5-3-4-6-15(14)22-16(18-19)12(2)20/h3-10H,1-2H3
InChIKey TZERZHLZILCKKK-UHFFFAOYSA-N
Molecular Weight 310.371 g/mol
SMILES C1(=NN(C(c2c(S1)cccc2)=O)c1ccc(cc1)C)C(=O)C
SPLASH splash10-0006-9610000000-57d0dc69b5ac05965a1a
Source of Spectrum O1-63-1161-6
Synonyms 2-Acetyl-4-(4-methylphenyl)-1,3,4-benzothiadiazepin-5(4H)-one
Wiley ID 1592689