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(R)-2-(O-Tosyl)-1-(4-methoxyphenyl)-1,2-ethane diol
SpectraBase Compound ID 5xAFA4NuqPb
InChI InChI=1S/C16H18O5S/c1-12-3-9-15(10-4-12)22(18,19)21-11-16(17)13-5-7-14(20-2)8-6-13/h3-10,16-17H,11H2,1-2H3/t16-/m0/s1
InChIKey IDRCGNXBSADXGX-INIZCTEOSA-N
Mol Weight 322.38 g/mol
Molecular Formula C16H18O5S
Exact Mass 322.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xUgxA3CHSa
Name (R)-2-(O-Tosyl)-1-(4-methoxyphenyl)-1,2-ethane diol
Appearance Colorless solid;
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Formula C16H18O5S
InChI InChI=1S/C16H18O5S/c1-12-3-9-15(10-4-12)22(18,19)21-11-16(17)13-5-7-14(20-2)8-6-13/h3-10,16-17H,11H2,1-2H3/t16-/m0/s1
InChIKey IDRCGNXBSADXGX-INIZCTEOSA-N
Instrument Name Finningen MAT TSQ 70
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.305
Molecular Weight 322.375 g/mol
Optical Rotation [a]D20 = -53.0 (c = 1, CHCl3)
SMILES O[C@](c1ccc(cc1)OC)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-00xv-9602000000-f63ad1180cb3d7f3dcc6
Source of Spectrum ARK-2005-41-11
Wiley ID 1870997