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Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
SpectraBase Compound ID IOT0ZrpCLNy
InChI InChI=1S/C16H18ClN3S/c1-4-5-6-13-10(2)19-20(11(13)3)16-18-14-8-7-12(17)9-15(14)21-16/h7-9H,4-6H2,1-3H3
InChIKey DZIRTOUFZBECHD-UHFFFAOYSA-N
Mol Weight 319.85 g/mol
Molecular Formula C16H18ClN3S
Exact Mass 319.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABlP8VmSlxi
Name Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
Alternate Name(s) 2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-1,3-benzothiazole 2-(4'-Butyl-3',5'-dimethylpyrazol-1'-yl)-6-chlorobenzothiazole 2-(4-butyl-3,5-dimethyl-1-pyrazolyl)-6-chloro-1,3-benzothiazole 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-6-chloranyl-1,3-benzothiazole 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-6-chloro-1,3-benzothiazole 2-(4-Butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-benzothiazole BRN 5594839
CAS Registry Number 104519-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18ClN3S
InChI InChI=1S/C16H18ClN3S/c1-4-5-6-13-10(2)19-20(11(13)3)16-18-14-8-7-12(17)9-15(14)21-16/h7-9H,4-6H2,1-3H3
InChIKey DZIRTOUFZBECHD-UHFFFAOYSA-N
Molecular Weight 319.854 g/mol
SMILES CCCCc1c(C)n[n](c1C)-c1nc2ccc(cc2s1)Cl
SPLASH splash10-004i-0091000000-e28c2ab775cf15c220c5
Source of Spectrum O-21-78-3
Wiley ID 1319283