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(R)-1-(benzo[b]thiophen-5-yl)hexan-2-ol
SpectraBase Compound ID CLIzYeQk6Pe
InChI InChI=1S/C14H18OS/c1-2-3-4-13(15)10-11-5-6-14-12(9-11)7-8-16-14/h5-9,13,15H,2-4,10H2,1H3/t13-/m1/s1
InChIKey FXVOOXXSXKFVIQ-CYBMUJFWSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kn8c6ndlnMd
Name (R)-1-(benzo[b]thiophen-5-yl)hexan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.107836373 u
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-2-3-4-13(15)10-11-5-6-14-12(9-11)7-8-16-14/h5-9,13,15H,2-4,10H2,1H3/t13-/m1/s1
InChIKey FXVOOXXSXKFVIQ-CYBMUJFWSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214377
Molecular Weight 234.357 g/mol
Optical Rotation [a]D20 = -8.2 (c = 1.15, CHCl3)
Quality 66
Reported Formula C14H18OS
SMILES O[C@@](CC1=CC2=C(C=C1)SC=C2)(CCCC)[H]
SPLASH splash10-0002-0910000000-a38f9c1f256547564f0e
Source of Spectrum ACI-62-SM28-(R)-7j (DOI: 10.1002/anie.202214377)
Wiley ID 1908218