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3-(4-Bromophenyl)-1-(2-(methylthio)phenyl)prop-2-yn-1-ol
SpectraBase Compound ID Cx9GlqvX3HD
InChI InChI=1S/C16H13BrOS/c1-19-16-5-3-2-4-14(16)15(18)11-8-12-6-9-13(17)10-7-12/h2-7,9-10,15,18H,1H3
InChIKey VCLPKBDENRQCSM-UHFFFAOYSA-N
Mol Weight 333.24 g/mol
Molecular Formula C16H13BrOS
Exact Mass 331.987049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDjWxt8pjVs
Name 3-(4-Bromophenyl)-1-(2-(methylthio)phenyl)prop-2-yn-1-ol
Appearance Yellow oil
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Formula C16H13BrOS
InChI InChI=1S/C16H13BrOS/c1-19-16-5-3-2-4-14(16)15(18)11-8-12-6-9-13(17)10-7-12/h2-7,9-10,15,18H,1H3
InChIKey VCLPKBDENRQCSM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202100782
Molecular Weight 333.243 g/mol
Reported Formula C16H13BrOS
SMILES OC(c1c(SC)cccc1)C#Cc1ccc(cc1)Br
SPLASH splash10-014r-0879000000-5ddca9b8b74b4040ef39
Source of Spectrum ASC-363-SM3-1e
Wiley ID 1851310