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3-(2,4,5-Trimethoxyphenyl)propane-1,2-diol

View entire compound with spectra: 1 FTIR

3-(2,4,5-Trimethoxyphenyl)propane-1,2-diol
SpectraBase Compound ID 9iiyL1hpUgq
InChI InChI=1S/C12H18O5/c1-15-10-6-12(17-3)11(16-2)5-8(10)4-9(14)7-13/h5-6,9,13-14H,4,7H2,1-3H3
InChIKey ZCULGWNUIVXSFU-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BVGagD3XVXB
Name 3-(2,4,5-Trimethoxyphenyl)propane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.115423675 u
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-15-10-6-12(17-3)11(16-2)5-8(10)4-9(14)7-13/h5-6,9,13-14H,4,7H2,1-3H3
InChIKey ZCULGWNUIVXSFU-UHFFFAOYSA-N
Molecular Weight 242.271 g/mol
SMILES C1(=C(C=C(C(=C1)CC(CO)O)OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958373