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5-Anilino-3-bromo-4-isothiazolecarbonitrile
SpectraBase Compound ID CLf9PEscdJu
InChI InChI=1S/C10H6BrN3S/c11-9-8(6-12)10(15-14-9)13-7-4-2-1-3-5-7/h1-5,13H
InChIKey CSDLIIKYNFQOEC-UHFFFAOYSA-N
Mol Weight 280.14 g/mol
Molecular Formula C10H6BrN3S
Exact Mass 278.946581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3hPHikoXLr
Name 5-Anilino-3-bromo-4-isothiazolecarbonitrile
Alternate Name(s) 3-Bromanyl-5-phenylazanyl-1,2-thiazole-4-carbonitrile 5-Anilino-3-bromo-1,2-thiazole-4-carbonitrile 5-Anilino-3-bromo-isothiazole-4-carbonitrile Isothiazole-4-carbonitrile, 3-bromo-5-phenylamino-
CAS Registry Number 312536-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6BrN3S
InChI InChI=1S/C10H6BrN3S/c11-9-8(6-12)10(15-14-9)13-7-4-2-1-3-5-7/h1-5,13H
InChIKey CSDLIIKYNFQOEC-UHFFFAOYSA-N
Molecular Weight 280.143 g/mol
SMILES N(c1c(c(ns1)Br)C#N)c1ccccc1
SPLASH splash10-0ufr-9420000000-f8c23f80614368fc9f87
Source of Spectrum AD-0-2532-0
Wiley ID 1424302