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1,3-Propanediol, 2-(phenylmethoxy)-, mono(4-methylbenzenesulfonate), (S)-
SpectraBase Compound ID H8h0I7fIIQx
InChI InChI=1S/C17H20O5S/c1-14-7-9-17(10-8-14)23(19,20)22-13-16(11-18)21-12-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3/t16-/m0/s1
InChIKey MMMHRPOWTOVARP-INIZCTEOSA-N
Mol Weight 336.4 g/mol
Molecular Formula C17H20O5S
Exact Mass 336.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35tWsdxEV2x
Name 1,3-Propanediol, 2-(phenylmethoxy)-, mono(4-methylbenzenesulfonate), (S)-
Alternate Name(s) (2S)-2-(benzyloxy)-3-hydroxypropyl 4-methylbenzenesulfonate (S)-2-benzyloxy-3-(toluene-4-sulfonyloxy)-propan-1-ol 4-Methylbenzenesulfonic acid[(2S)-2-benzoxy-3-hydroxy-propyl]ester 4-Methylbenzenesulfonic acid[(2S)-3-hydroxy-2-phenylmethoxypropyl]ester [(2S)-3-hydroxy-2-phenylmethoxypropyl]4-methylbenzenesulfonate [(2S)-3-oxidanyl-2-phenylmethoxy-propyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2S)-3-hydroxy-2-phenylmethoxypropyl] ester [(2S)-3-hydroxy-2-phenylmethoxypropyl] 4-methylbenzenesulfonate [(2S)-2-benzyloxy-3-hydroxy-propyl] 4-methylbenzenesulfonate [(2S)-3-oxidanyl-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate
CAS Registry Number 109371-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O5S
InChI InChI=1S/C17H20O5S/c1-14-7-9-17(10-8-14)23(19,20)22-13-16(11-18)21-12-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3/t16-/m0/s1
InChIKey MMMHRPOWTOVARP-INIZCTEOSA-N
Molecular Weight 336.402 g/mol
SMILES OC[C@](OCc1ccccc1)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-9300000000-f46e3cdbb9c0fc566ea7
Source of Spectrum F-43-3813-28
Wiley ID 1332227