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3-(7-Methoxy-benzo[1,3]dioxol-5-yl)-propane-1,2-diol

View entire compound with spectra: 1 FTIR

3-(7-Methoxy-benzo[1,3]dioxol-5-yl)-propane-1,2-diol
SpectraBase Compound ID AZRQ1gBaTk7
InChI InChI=1S/C11H14O5/c1-14-9-3-7(2-8(13)5-12)4-10-11(9)16-6-15-10/h3-4,8,12-13H,2,5-6H2,1H3
InChIKey AWESBQDPCBCYFU-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FoCQjQdu6gj
Name 3-(7-Methoxy-benzo[1,3]dioxol-5-yl)-propane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.084123546 u
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-14-9-3-7(2-8(13)5-12)4-10-11(9)16-6-15-10/h3-4,8,12-13H,2,5-6H2,1H3
InChIKey AWESBQDPCBCYFU-UHFFFAOYSA-N
Molecular Weight 226.228 g/mol
SMILES C1(=C2C(=CC(=C1)CC(CO)O)OCO2)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850235