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2-(Isopropylthio)-1-phenylethan-1-ol
SpectraBase Compound ID 5P05va376sU
InChI InChI=1S/C11H16OS/c1-9(2)13-8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKey MNGNCJBSDYEAEJ-UHFFFAOYSA-N
Mol Weight 196.31 g/mol
Molecular Formula C11H16OS
Exact Mass 196.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EVzrNKFfgL
Name 2-(Isopropylthio)-1-phenylethan-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16OS
InChI InChI=1S/C11H16OS/c1-9(2)13-8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKey MNGNCJBSDYEAEJ-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 196.308 g/mol
Reported Formula C11H16O(32)S
SMILES OC(c1ccccc1)CSC(C)C
SPLASH splash10-052f-9500000000-22efdc2978961a1da4b5
Source of Spectrum A1-23-SM15-S3r
Thin-Layer Chromatography Rf = 0.26 (hexane/EtOAc, 4:1)
Wiley ID 1868088