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Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-
SpectraBase Compound ID 275wAs0UhZj
InChI InChI=1S/C16H19N3S/c1-4-5-8-13-11(2)18-19(12(13)3)16-17-14-9-6-7-10-15(14)20-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey HIIFETMIXDYLEK-UHFFFAOYSA-N
Mol Weight 285.41 g/mol
Molecular Formula C16H19N3S
Exact Mass 285.129969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lnyBIW7TM7
Name Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-
Alternate Name(s) 2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-benzothiazole 2-(4-butyl-3,5-dimethyl-1-pyrazolyl)-1,3-benzothiazole 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-1,3-benzothiazole BRN 5578200
CAS Registry Number 104519-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3S
InChI InChI=1S/C16H19N3S/c1-4-5-8-13-11(2)18-19(12(13)3)16-17-14-9-6-7-10-15(14)20-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey HIIFETMIXDYLEK-UHFFFAOYSA-N
Molecular Weight 285.409 g/mol
SMILES CCCCc1c(C)n[n](c1C)-c1nc2ccccc2s1
SPLASH splash10-0006-0190000000-d77d49447ab30b17899c
Source of Spectrum O-21-78-1
Wiley ID 1288973