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4-Isothiazolecarbonitrile, 3-(p-bromophenyl)-5-methyl-
SpectraBase Compound ID 238c9xR21c9
InChI InChI=1S/C11H7BrN2S/c1-7-10(6-13)11(14-15-7)8-2-4-9(12)5-3-8/h2-5H,1H3
InChIKey OBFUELFEAPSJNC-UHFFFAOYSA-N
Mol Weight 279.15 g/mol
Molecular Formula C11H7BrN2S
Exact Mass 277.951332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yl70i7SttW
Name 4-Isothiazolecarbonitrile, 3-(p-bromophenyl)-5-methyl-
CAS Registry Number 19762-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7BrN2S
InChI InChI=1S/C11H7BrN2S/c1-7-10(6-13)11(14-15-7)8-2-4-9(12)5-3-8/h2-5H,1H3
InChIKey OBFUELFEAPSJNC-UHFFFAOYSA-N
Molecular Weight 279.155 g/mol
SMILES Cc1c(C#N)c(-c2ccc(cc2)Br)ns1
SPLASH splash10-0059-5290000000-dea8e3f26758f6ae5fe4
Source of Spectrum T-68-2079-0
Synonyms 3-(4-Bromophenyl)-5-methyl-4-isothiazolecarbonitrile 3-(4-bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile 3-(4-bromophenyl)-5-methyl-isothiazole-4-carbonitrile
Wiley ID 40515