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

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3-(2,4,5-Trimethoxyphenyl)propane-1,2-diol, 2ac derivative
SpectraBase Compound ID IX1qwAvZonT
InChI InChI=1S/C16H22O7/c1-10(17)22-9-13(23-11(2)18)6-12-7-15(20-4)16(21-5)8-14(12)19-3/h7-8,13H,6,9H2,1-5H3
InChIKey LMVURYNMSYICHQ-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C16H22O7
Exact Mass 326.136553 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30Drhv2Hbu3
Name 3-(2,4,5-Trimethoxyphenyl)propane-1,2-diol, 2ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.136553041 u
Formula C16H22O7
InChI InChI=1S/C16H22O7/c1-10(17)22-9-13(23-11(2)18)6-12-7-15(20-4)16(21-5)8-14(12)19-3/h7-8,13H,6,9H2,1-5H3
InChIKey LMVURYNMSYICHQ-UHFFFAOYSA-N
Molecular Weight 326.345 g/mol
SMILES C1(=C(C=C(C(=C1)CC(COC(=O)C)OC(=O)C)OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961378