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1-Methoxy-2-{3'-(2'',3''-dihydroxypropoxy)-2'-hydroxy}propoxybenzene

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

1-Methoxy-2-{3'-(2'',3''-dihydroxypropoxy)-2'-hydroxy}propoxybenzene
SpectraBase Compound ID JmXYPAHaM60
InChI InChI=1S/C13H20O6/c1-17-12-4-2-3-5-13(12)19-9-11(16)8-18-7-10(15)6-14/h2-5,10-11,14-16H,6-9H2,1H3
InChIKey SMTQKTRQCTYCBV-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CStYgu2N9jo
Name 1-Methoxy-2-{3'-(2'',3''-dihydroxypropoxy)-2'-hydroxy}propoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.125988358 u
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-17-12-4-2-3-5-13(12)19-9-11(16)8-18-7-10(15)6-14/h2-5,10-11,14-16H,6-9H2,1H3
InChIKey SMTQKTRQCTYCBV-UHFFFAOYSA-N
Molecular Weight 272.297 g/mol
SMILES C1(OCC(O)COCC(O)CO)=C(OC)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975458