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1-PHENYL-2-(METHYLSULFINYL)-ETHANOL;ISOMER-#1
SpectraBase Compound ID EZM5wnhsp0p
InChI InChI=1S/C9H12O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,12?/m1/s1
InChIKey UXUPTVAMXKSGQI-PKEIRNPWSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHBSlpKbZk3
Name 1-PHENYL-2-(METHYLSULFINYL)-ETHANOL;ISOMER-#1
CAS Registry Number 94661-72-0
Compound Number 7-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,12?/m1/s1
InChIKey UXUPTVAMXKSGQI-PKEIRNPWSA-N
Literature Reference Author M.C.CARRENO,J.L.G.RUANO,A.M.MARTIN,C.PEDREGAL,J.H.RODRIGUEZ, A.RUBIO,J.SANCHEZ,G.
Literature Reference Citation J.ORG.CHEM.,55,2120(1990)
Literature Reference DOI 10.1021/jo00294a027
Molecular Weight 184.253 g/mol
Solvent DMSO-D6
Source File Reference UWCS11458