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1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole
SpectraBase Compound ID JiFar84UdO6
InChI InChI=1S/C14H11ClN2OS/c1-8-7-9(2)17(16-8)14(18)13-12(15)10-5-3-4-6-11(10)19-13/h3-7H,1-2H3
InChIKey NRUODJOYKTWEPO-UHFFFAOYSA-N
Mol Weight 290.77 g/mol
Molecular Formula C14H11ClN2OS
Exact Mass 290.028062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd0dRKhVv1O
Name 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole
Alternate Name(s) (3-chloranyl-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethyl-1-pyrazolyl)methanone (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (3-chlorobenzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone Benzothiophene, 3-chloro-2-(3,5-dimethyl-1-pyrazolyl)carbonyl-
CAS Registry Number 78154-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11ClN2OS
InChI InChI=1S/C14H11ClN2OS/c1-8-7-9(2)17(16-8)14(18)13-12(15)10-5-3-4-6-11(10)19-13/h3-7H,1-2H3
InChIKey NRUODJOYKTWEPO-UHFFFAOYSA-N
Molecular Weight 290.768 g/mol
SMILES c1(C([n]2nc(C)cc2C)=O)sc2ccccc2c1Cl
SPLASH splash10-0a4i-1690000000-2017f5d69496bfe9d146
Source of Spectrum AD-0-2532-0
Wiley ID 1427364