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3,4-Dibromoisothiazole-5-carbonitrile
SpectraBase Compound ID 8ps7qTXfENu
InChI InChI=1S/C4Br2N2S/c5-3-2(1-7)9-8-4(3)6
InChIKey ACLFQCHSHNIUKE-UHFFFAOYSA-N
Mol Weight 267.93 g/mol
Molecular Formula C4Br2N2S
Exact Mass 265.814895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKA442dPbI7
Name 3,4-Dibromoisothiazole-5-carbonitrile
Alternate Name(s) 3,4-Dibromo-5-isothiazolecarbonitrile 3,4-Dibromo-1,2-thiazole-5-carbonitrile 3,4-Bis(bromanyl)-1,2-thiazole-5-carbonitrile
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Formula C4Br2N2S
InChI InChI=1S/C4Br2N2S/c5-3-2(1-7)9-8-4(3)6
InChIKey ACLFQCHSHNIUKE-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3ra47261b
Molecular Weight 267.926 g/mol
SMILES c1(c(c(Br)ns1)Br)C#N
SPLASH splash10-02t9-2890000000-5227b3965a5c36c0421e
Source of Spectrum RSA-4-7745-minor8b
Wiley ID 1747914