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3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
SpectraBase Compound ID 9SfLQZSJXLc
InChI InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
InChIKey ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Mol Weight 240.28 g/mol
Molecular Formula C10H12N2O3S
Exact Mass 240.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z6813PYHum
Name BENTAZONE
CAS Registry Number 25057-89-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 240.056863425 u
Formula C10H12N2O3S
InChI InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
InChIKey ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Molecular Weight 240.277 g/mol
Nominal Mass 240 u
Number of Peaks 84
SMILES N1S(N(C(c2ccccc12)=O)C(C)C)(=O)=O
SPLASH splash10-00kb-3910000000-ecd9c3379430006dc20c
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
Technique GC/MS
Wiley ID WID_MSPA_3576