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5-Ethoxy-6-[1-[4-methylphenyl]ethyl]-1,3-benzodioxole
SpectraBase Compound ID IY3z7PJizkA
InChI InChI=1S/C18H20O3/c1-4-19-16-10-18-17(20-11-21-18)9-15(16)13(3)14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3
InChIKey DDMBEBUUSGQWCZ-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4DBDaG6nFpU
Name 5-Ethoxy-6-[1-[4-methylphenyl]ethyl]-1,3-benzodioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.141244501 u
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-4-19-16-10-18-17(20-11-21-18)9-15(16)13(3)14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3
InChIKey DDMBEBUUSGQWCZ-UHFFFAOYSA-N
SMILES C1(=C(C=C2C(=C1)OCO2)OCC)C(C1=CC=C(C=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837606