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5-[4-(Bromomethyl)phenyl]-3-chloro-4-isothiazolecarbonitrile
SpectraBase Compound ID BH4Mp02nmjo
InChI InChI=1S/C11H6BrClN2S/c12-5-7-1-3-8(4-2-7)10-9(6-14)11(13)15-16-10/h1-4H,5H2
InChIKey DJXYUZZKQNAOEO-UHFFFAOYSA-N
Mol Weight 313.6 g/mol
Molecular Formula C11H6BrClN2S
Exact Mass 311.91236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8Y64FHALak
Name 5-[4-(Bromomethyl)phenyl]-3-chloro-4-isothiazolecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6BrClN2S
InChI InChI=1S/C11H6BrClN2S/c12-5-7-1-3-8(4-2-7)10-9(6-14)11(13)15-16-10/h1-4H,5H2
InChIKey DJXYUZZKQNAOEO-UHFFFAOYSA-N
Molecular Weight 313.600 g/mol
SMILES c1(c(snc1Cl)-c1ccc(cc1)CBr)C#N
SPLASH splash10-001i-6590000000-f873a1e53bad02f84f52
Source of Spectrum AD-0-2532-0
Synonyms 5-[4-(bromomethyl)phenyl]-3-chloranyl-1,2-thiazole-4-carbonitrile 5-[4-(bromomethyl)phenyl]-3-chloro-1,2-thiazole-4-carbonitrile 5-[4-(bromomethyl)phenyl]-3-chloro-isothiazole-4-carbonitrile Isothiazole-4-carbonitrile, 5-(4-bromomethylphenyl)-3-chloro-
Wiley ID 1428151