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6-[1-[4-Ethoxyphenyl]ethyl]-1,3-benzodioxol-5-ol
SpectraBase Compound ID HUsXdeZWImA
InChI InChI=1S/C17H18O4/c1-3-19-13-6-4-12(5-7-13)11(2)14-8-16-17(9-15(14)18)21-10-20-16/h4-9,11,18H,3,10H2,1-2H3
InChIKey NYIJGHXLXKNTQR-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7H99DtWymIJ
Name 6-[1-[4-Ethoxyphenyl]ethyl]-1,3-benzodioxol-5-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.120509056 u
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-3-19-13-6-4-12(5-7-13)11(2)14-8-16-17(9-15(14)18)21-10-20-16/h4-9,11,18H,3,10H2,1-2H3
InChIKey NYIJGHXLXKNTQR-UHFFFAOYSA-N
SMILES C1=C(C(=CC2=C1OCO2)O)C(C)C1=CC=C(C=C1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876209