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Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-
SpectraBase Compound ID 4j8GAJmq7wo
InChI InChI=1S/C17H21N3S/c1-5-6-7-14-12(3)19-20(13(14)4)17-18-15-9-8-11(2)10-16(15)21-17/h8-10H,5-7H2,1-4H3
InChIKey ANRBIQQTDUWXPI-UHFFFAOYSA-N
Mol Weight 299.44 g/mol
Molecular Formula C17H21N3S
Exact Mass 299.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25DCRUBPeqF
Name Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-
Alternate Name(s) 2-(4-butyl-3,5-dimethyl-1-pyrazolyl)-6-methyl-1,3-benzothiazole 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-1,3-benzothiazole 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-6-methyl-1,3-benzothiazole BRN 5586593
CAS Registry Number 104519-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3S
InChI InChI=1S/C17H21N3S/c1-5-6-7-14-12(3)19-20(13(14)4)17-18-15-9-8-11(2)10-16(15)21-17/h8-10H,5-7H2,1-4H3
InChIKey ANRBIQQTDUWXPI-UHFFFAOYSA-N
Molecular Weight 299.436 g/mol
SMILES c1(-[n]2nc(C)c(c2C)CCCC)nc2ccc(cc2s1)C
SPLASH splash10-0a4j-0090000000-79918736fe3b0dc55610
Source of Spectrum O-21-78-2
Wiley ID 1302080