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5-[4-(3,4-Dimethoxyphenyl)butyl]-1,3-benzodioxole

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

5-[4-(3,4-Dimethoxyphenyl)butyl]-1,3-benzodioxole
SpectraBase Compound ID CPKYlq0PMpL
InChI InChI=1S/C19H22O4/c1-20-16-9-7-14(11-18(16)21-2)5-3-4-6-15-8-10-17-19(12-15)23-13-22-17/h7-12H,3-6,13H2,1-2H3
InChIKey NRORQTDYXIMAJA-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5YMGmlEOaRk
Name 5-[4-(3,4-Dimethoxyphenyl)butyl]-1,3-benzodioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.151809184 u
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-20-16-9-7-14(11-18(16)21-2)5-3-4-6-15-8-10-17-19(12-15)23-13-22-17/h7-12H,3-6,13H2,1-2H3
InChIKey NRORQTDYXIMAJA-UHFFFAOYSA-N
Molecular Weight 314.381 g/mol
SMILES C=12C(OCO2)=CC=C(C1)CCCCC=1C=C(OC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951838