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3-(bromomethyl)naphtho[2,1-e]benzothiophene
SpectraBase Compound ID 7tJKCqIyNyV
InChI InChI=1S/C17H11BrS/c18-9-12-10-19-16-8-7-14-13-4-2-1-3-11(13)5-6-15(14)17(12)16/h1-8,10H,9H2
InChIKey ZSJOSVXYIZNDPE-UHFFFAOYSA-N
Mol Weight 327.24 g/mol
Molecular Formula C17H11BrS
Exact Mass 325.976485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbRp7OxFJbZ
Name 3-(bromomethyl)naphtho[2,1-e]benzothiophene
Alternate Name(s) 3-(bromomethyl)naphtho[2,1-e][1]benzothiole
CAS Registry Number 84548-59-4
Comments Less than 3 mono-isotopic peaks
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Formula C17H11BrS
InChI InChI=1S/C17H11BrS/c18-9-12-10-19-16-8-7-14-13-4-2-1-3-11(13)5-6-15(14)17(12)16/h1-8,10H,9H2
InChIKey ZSJOSVXYIZNDPE-UHFFFAOYSA-N
Molecular Weight 327.239 g/mol
SMILES c12c(c3ccccc3cc2)ccc2scc(c12)CBr
SPLASH splash10-0002-0093000000-2f9a2170769b79eb6561
Source of Spectrum Y-19-1128-0
Wiley ID 1324623