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rel-(1R,2R)-1-(2', 3',4'-Trimethoxyphenyl)propane-1,2-diol
SpectraBase Compound ID 4wEXw8igLcd
InChI InChI=1S/C12H18O5/c1-7(13)10(14)8-5-6-9(15-2)12(17-4)11(8)16-3/h5-7,10,13-14H,1-4H3/t7-,10+/m1/s1
InChIKey ZSBFLKYPWTWACE-XCBNKYQSSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaJyMlHqbCD
Name rel-(1R,2R)-1-(2', 3',4'-Trimethoxyphenyl)propane-1,2-diol
Appearance Thick pale brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-7(13)10(14)8-5-6-9(15-2)12(17-4)11(8)16-3/h5-7,10,13-14H,1-4H3/t7-,10+/m1/s1
InChIKey ZSBFLKYPWTWACE-XCBNKYQSSA-N
Instrument Name Finnigan-MAT GCQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.206
Molecular Weight 242.271 g/mol
SMILES O[C@@]([C@@](c1ccc(c(c1OC)OC)OC)(O)[H])(C)[H]
SPLASH splash10-0002-0910000000-045f4116716a8f38e5c8
Source of Spectrum ARK-2010-85-20d
Wiley ID 1866817