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rel-(1S,2R)-1-(2',3',5'-Trimethoxyphenyl)-1,2-diol
SpectraBase Compound ID FE7zcOjgUqg
InChI InChI=1S/C12H18O5/c1-7(13)11(14)9-5-8(15-2)6-10(16-3)12(9)17-4/h5-7,11,13-14H,1-4H3/t7-,11-/m1/s1
InChIKey VCIKRKOKLCUKLS-RDDDGLTNSA-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 26cqvwzvDhf
Name rel-(1S,2R)-1-(2',3',5'-Trimethoxyphenyl)-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)11(14)9-5-8(15-2)6-10(16-3)12(9)17-4/h5-7,11,13-14H,1-4H3/t7-,11-/m1/s1
InChIKey VCIKRKOKLCUKLS-RDDDGLTNSA-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@](c1cc(cc(c1OC)OC)OC)(O)[H])(C)[H]
SPLASH splash10-00kb-0900000000-5e209a77f8452f2e69ba
Source of Spectrum ARK-2010-86-22e
Wiley ID 1866825