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(+)-2-Bromo-3-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}pyridine
SpectraBase Compound ID CY1yUoig8g6
InChI InChI=1S/C16H14BrNO/c1-12-5-8-14(9-6-12)10-7-13(2)19-15-4-3-11-18-16(15)17/h3-6,8-9,11,13H,1-2H3/t13-/m1/s1
InChIKey PLRGROIHXHTQOI-CYBMUJFWSA-N
Mol Weight 316.2 g/mol
Molecular Formula C16H14BrNO
Exact Mass 315.025877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43UMnNxhztv
Name (+)-2-Bromo-3-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}pyridine
Alternate Name(s) (R)-2-bromo-3-((4-(p-tolyl)but-3-yn-2-yl)oxy)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrNO
InChI InChI=1S/C16H14BrNO/c1-12-5-8-14(9-6-12)10-7-13(2)19-15-4-3-11-18-16(15)17/h3-6,8-9,11,13H,1-2H3/t13-/m1/s1
InChIKey PLRGROIHXHTQOI-CYBMUJFWSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 316.198 g/mol
SMILES c1ccc(c(n1)Br)O[C@@](C#Cc1ccc(cc1)C)(C)[H]
SPLASH splash10-002f-0901000000-2efd27476f5161ae166e
Source of Spectrum ACI-51-SMS27-54
Wiley ID 1780201