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(5-bromanyl-1H-indol-3-yl) thiocyanate
SpectraBase Compound ID 9lzQYbqqAls
InChI InChI=1S/C9H5BrN2S/c10-6-1-2-8-7(3-6)9(4-12-8)13-5-11/h1-4,12H
InChIKey QPFYUPVTSGMSAV-UHFFFAOYSA-N
Mol Weight 253.12 g/mol
Molecular Formula C9H5BrN2S
Exact Mass 251.935682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B08p8HvzbMG
Name (5-bromanyl-1H-indol-3-yl) thiocyanate
Alternate Name(s) (5-bromo-1H-indol-3-yl) thiocyanate 5-Bromo-3-thiocyanato-1H-indole Thiocyanic acid (5-bromo-1H-indol-3-yl) ester
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Formula C9H5BrN2S
InChI InChI=1S/C9H5BrN2S/c10-6-1-2-8-7(3-6)9(4-12-8)13-5-11/h1-4,12H
InChIKey QPFYUPVTSGMSAV-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra05625f
Molecular Weight 253.117 g/mol
SMILES [nH]1cc(c2cc(ccc12)Br)SC#N
SPLASH splash10-0fk9-1960000000-07cd9431ed783cf27b4f
Source of Spectrum RSA-4-34519/SM9-2j
Wiley ID 1751496