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3-[2-(1,3-Benzodioxol-5-yl)ethyl]phenol

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

3-[2-(1,3-Benzodioxol-5-yl)ethyl]phenol
SpectraBase Compound ID E0nKkyCe0Rs
InChI InChI=1S/C15H14O3/c16-13-3-1-2-11(8-13)4-5-12-6-7-14-15(9-12)18-10-17-14/h1-3,6-9,16H,4-5,10H2
InChIKey YGEIWVIFYZOOKS-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C15H14O3
Exact Mass 242.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DDF4qPOPqg8
Name 3-[2-(1,3-Benzodioxol-5-yl)ethyl]phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.094294308 u
Formula C15H14O3
InChI InChI=1S/C15H14O3/c16-13-3-1-2-11(8-13)4-5-12-6-7-14-15(9-12)18-10-17-14/h1-3,6-9,16H,4-5,10H2
InChIKey YGEIWVIFYZOOKS-UHFFFAOYSA-N
Molecular Weight 242.274 g/mol
SMILES C=12C(OCO2)=CC=C(C1)CCC1=CC(O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929242