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4-Hydroxybenzenepropanol diacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Hydroxybenzenepropanol diacetate
SpectraBase Compound ID AbNszndQykz
InChI InChI=1S/C13H16O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h5-8H,3-4,9H2,1-2H3
InChIKey BVFVKQUGHGXIHQ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ir1iwBBIyDn
Name 4-Hydroxybenzenepropanol diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h5-8H,3-4,9H2,1-2H3
InChIKey BVFVKQUGHGXIHQ-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C1=CC(=CC=C1CCCOC(C)=O)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845346