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6-methyl-2,1,3-benzothiadiazol-5-methanol

View entire compound with spectra: 1 MS (GC)

6-methyl-2,1,3-benzothiadiazol-5-methanol
SpectraBase Compound ID CW79Bzhhe22
InChI InChI=1S/C8H8N2OS/c1-5-2-7-8(10-12-9-7)3-6(5)4-11/h2-3,11H,4H2,1H3
InChIKey RZAYLNWZYHEKLS-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C8H8N2OS
Exact Mass 180.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEyYLuhhs27
Name 6-methyl-2,1,3-benzothiadiazol-5-methanol
Alternate Name(s) (6-methyl-2,1,3-benzothiadiazol-5-yl)methanol
CAS Registry Number 109123-60-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2OS
InChI InChI=1S/C8H8N2OS/c1-5-2-7-8(10-12-9-7)3-6(5)4-11/h2-3,11H,4H2,1H3
InChIKey RZAYLNWZYHEKLS-UHFFFAOYSA-N
Molecular Weight 180.225 g/mol
SMILES OCc1cc2c(cc1C)nsn2
SPLASH splash10-03di-0900000000-07671ac6216c4c9b0800
Source of Spectrum K-120-1595-13
Wiley ID 1175834