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4-PHENYLSULFINYLPHENOXYETHANOL

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4-PHENYLSULFINYLPHENOXYETHANOL
SpectraBase Compound ID 50pJBeJWE8G
InChI InChI=1S/C14H14O3S/c15-10-11-17-12-6-8-14(9-7-12)18(16)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey AIYMHXFDKBAEJR-UHFFFAOYSA-N
Mol Weight 262.32 g/mol
Molecular Formula C14H14O3S
Exact Mass 262.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IVrof7VSCa
Name 4-PHENYLSULFINYLPHENOXYETHANOL
Compound Number 115
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14O3S
InChI InChI=1S/C14H14O3S/c15-10-11-17-12-6-8-14(9-7-12)18(16)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey AIYMHXFDKBAEJR-UHFFFAOYSA-N
Literature Reference Author E.ELHALEM,B.N.BAILEY,R.DOCAMPO,I.UJVARY,S.H.SZAJNMAN,J.B.ROD RIGUEZ
Literature Reference Citation J.MED.CHEM.,45,3984(2002)
Literature Reference DOI 10.1021/jm0201518
Molecular Weight 262.323 g/mol
Sample ID 65038
Solvent CDCl3