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(1R,2S)-2-Allyl-1-[4-(benzyloxy)-3,5-dimethoxyphenyl]propane-1,3-diol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S)-2-Allyl-1-[4-(benzyloxy)-3,5-dimethoxyphenyl]propane-1,3-diol
SpectraBase Compound ID 4CzigxWLr69
InChI InChI=1S/C21H26O5/c1-4-8-16(13-22)20(23)17-11-18(24-2)21(19(12-17)25-3)26-14-15-9-6-5-7-10-15/h4-7,9-12,16,20,22-23H,1,8,13-14H2,2-3H3/t16-,20+/m0/s1
InChIKey HZRWIOCALPGGAT-OXJNMPFZSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57jfMeBvbpO
Name (1R,2S)-2-Allyl-1-[4-(benzyloxy)-3,5-dimethoxyphenyl]propane-1,3-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.178023932 u
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-4-8-16(13-22)20(23)17-11-18(24-2)21(19(12-17)25-3)26-14-15-9-6-5-7-10-15/h4-7,9-12,16,20,22-23H,1,8,13-14H2,2-3H3/t16-,20+/m0/s1
InChIKey HZRWIOCALPGGAT-OXJNMPFZSA-N
Molecular Weight 358.434 g/mol
SMILES C1(=C(C=C(C=C1OC)[C@@]([C@@](CC=C)(CO)[H])(O)[H])OC)OCC1=CC=CC=C1