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(S)-1-[ 2'-( 2"-Hydroxy-3"-tosyloxypropoxy)phenyl]-3-phenyl-1-propanone
SpectraBase Compound ID ICoE0mZu78T
InChI InChI=1S/C25H26O6S/c1-19-11-14-22(15-12-19)32(28,29)31-18-21(26)17-30-25-10-6-5-9-23(25)24(27)16-13-20-7-3-2-4-8-20/h2-12,14-15,21,26H,13,16-18H2,1H3/t21-/m0/s1
InChIKey BTLZVYVORKBJLA-NRFANRHFSA-N
Mol Weight 454.54 g/mol
Molecular Formula C25H26O6S
Exact Mass 454.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2gOu0nu9Ee
Name (S)-1-[ 2'-( 2"-Hydroxy-3"-tosyloxypropoxy)phenyl]-3-phenyl-1-propanone
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Formula C25H26O6S
InChI InChI=1S/C25H26O6S/c1-19-11-14-22(15-12-19)32(28,29)31-18-21(26)17-30-25-10-6-5-9-23(25)24(27)16-13-20-7-3-2-4-8-20/h2-12,14-15,21,26H,13,16-18H2,1H3/t21-/m0/s1
InChIKey BTLZVYVORKBJLA-NRFANRHFSA-N
Molecular Weight 454.537 g/mol
SMILES O[C@](COS(c1ccc(cc1)C)(=O)=O)(COc1c(C(=O)CCc2ccccc2)cccc1)[H]
SPLASH splash10-006x-9510200000-c38a96b8a4b5be615e01
Source of Spectrum AH-128-57-7
Synonyms 4-Methylbenzenesulfonic acid[(2S)-2-hydroxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl]ester 4-Methylbenzenesulfonic acid[(2S)-3-(2-hydrocinnamoylphenoxy)-2-hydroxy-propyl]ester [(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]4-methylbenzenesulfonate [(2S)-2-oxidanyl-3-[2-(3-phenylpropanoyl)phenoxy]propyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2S)-2-hydroxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl] ester [(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl] 4-methylbenzenesulfonate [(2S)-2-oxidanyl-3-[2-(3-phenylpropanoyl)phenoxy]propyl] 4-methylbenzenesulfonate
Wiley ID 1388761