John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2Gt3q9UxpJK SpectraBase Spectrum ID=JNAjfcBvzkh

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1-PHENYL-2-[(4-METHYLPHENYL)-SULFINYL]-ETHANOL;ISOMER-#2
SpectraBase Compound ID 2Gt3q9UxpJK
InChI InChI=1S/C15H16O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,18?/m0/s1
InChIKey DBRYZXNIGDQKFP-BUSXIPJBSA-N
Mol Weight 260.35 g/mol
Molecular Formula C15H16O2S
Exact Mass 260.087102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNAjfcBvzkh
Name 1-PHENYL-2-[(4-METHYLPHENYL)-SULFINYL]-ETHANOL;ISOMER-#2
CAS Registry Number 39201-98-4
Compound Number 6-BETA
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16O2S
InChI InChI=1S/C15H16O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,18?/m0/s1
InChIKey DBRYZXNIGDQKFP-BUSXIPJBSA-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 260.351 g/mol
Solvent DMSO-D6
Source File Reference UWCS11457
SpectraBase Batch ID JTegHMB0RWk