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1-[(3-chloro-1-benzothien-2-yl)carbonyl]-1H-pyrazole
SpectraBase Compound ID 4KsKNed44aY
InChI InChI=1S/C12H7ClN2OS/c13-10-8-4-1-2-5-9(8)17-11(10)12(16)15-7-3-6-14-15/h1-7H
InChIKey IHJULKXSFLGMPB-UHFFFAOYSA-N
Mol Weight 262.71 g/mol
Molecular Formula C12H7ClN2OS
Exact Mass 261.996762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRAU3eBwDLc
Name 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-1H-pyrazole
Alternate Name(s) (3-chloranyl-1-benzothiophen-2-yl)-pyrazol-1-yl-methanone (3-chloro-1-benzothiophen-2-yl)-(1-pyrazolyl)methanone (3-chloro-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone (3-chlorobenzothiophen-2-yl)-pyrazol-1-yl-methanone Benzothiophene, 3-chloro-2-(1-pyrazolylcarbonyl)-
CAS Registry Number 312533-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClN2OS
InChI InChI=1S/C12H7ClN2OS/c13-10-8-4-1-2-5-9(8)17-11(10)12(16)15-7-3-6-14-15/h1-7H
InChIKey IHJULKXSFLGMPB-UHFFFAOYSA-N
Molecular Weight 262.714 g/mol
SMILES c1(C([n]2nccc2)=O)sc2ccccc2c1Cl
SPLASH splash10-004j-3980000000-5631ed66eb620ec8c7c4
Source of Spectrum AD-0-2532-0
Wiley ID 1427314