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(R)-2-(hex-1-yn-1-yl)-3-(1-hydroxyethyl)benzaldehyde
SpectraBase Compound ID 8VPu08lsB4g
InChI InChI=1S/C15H18O2/c1-3-4-5-6-9-15-13(11-16)8-7-10-14(15)12(2)17/h7-8,10-12,17H,3-5H2,1-2H3/t12-/m1/s1
InChIKey WBZYRLOVOYYFEE-GFCCVEGCSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tqAPxPYxVi
Name (R)-2-(hex-1-yn-1-yl)-3-(1-hydroxyethyl)benzaldehyde
Appearance Colorless liquid
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Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-3-4-5-6-9-15-13(11-16)8-7-10-14(15)12(2)17/h7-8,10-12,17H,3-5H2,1-2H3/t12-/m1/s1
InChIKey WBZYRLOVOYYFEE-GFCCVEGCSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405889
Molecular Weight 230.307 g/mol
Optical Rotation [a]D20 = +47.6 (c = 0.10 in CHCl3)
Reported Formula C15H18O2
SMILES O[C@@](C1=C(C(=CC=C1)C=O)C#CCCCC)(C)[H]
SPLASH splash10-000i-0950000000-db41d4286790d0ef4c7c
Source of Spectrum QE-21-SM19-19-2 (DOI: 10.1002/chem.201405889)
Wiley ID 1909040