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1,2-Propanediol, 1-(2-methoxyphenyl)-3-phenyl-, (R*,R*)-(+)-
SpectraBase Compound ID 3GmqB6DItf8
InChI InChI=1S/C16H18O3/c1-19-15-10-6-5-9-13(15)16(18)14(17)11-12-7-3-2-4-8-12/h2-10,14,16-18H,11H2,1H3/t14-,16-/m1/s1
InChIKey ZBOLOTNDIOODIO-GDBMZVCRSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JCpE9NS570
Name 1,2-Propanediol, 1-(2-methoxyphenyl)-3-phenyl-, (R*,R*)-(+)-
CAS Registry Number 130609-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-19-15-10-6-5-9-13(15)16(18)14(17)11-12-7-3-2-4-8-12/h2-10,14,16-18H,11H2,1H3/t14-,16-/m1/s1
InChIKey ZBOLOTNDIOODIO-GDBMZVCRSA-N
Molecular Weight 258.317 g/mol
SMILES O[C@@]([C@@](c1c(OC)cccc1)(O)[H])(Cc1ccccc1)[H]
SPLASH splash10-007c-5910000000-8f5711254a03f19be11b
Source of Spectrum B-43-1332-4
Synonyms (1R,2R)-1-(2-methoxyphenyl)-3-phenyl-1,2-propanediol Threo-1-(2'-methoxyphenyl)-3-phenylpropane-1,2-diol
Wiley ID 1262055