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1,3-Dimethyl-5-(3-phenylpropoxy)benzene

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

1,3-Dimethyl-5-(3-phenylpropoxy)benzene
SpectraBase Compound ID LTZZalwR445
InChI InChI=1S/C17H20O/c1-14-11-15(2)13-17(12-14)18-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3
InChIKey XUPKTHJPUBRJNC-UHFFFAOYSA-N
Mol Weight 240.35 g/mol
Molecular Formula C17H20O
Exact Mass 240.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 31Nr3HETQ9e
Name 1,3-Dimethyl-5-(3-phenylpropoxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.151415263 u
Formula C17H20O
InChI InChI=1S/C17H20O/c1-14-11-15(2)13-17(12-14)18-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3
InChIKey XUPKTHJPUBRJNC-UHFFFAOYSA-N
Molecular Weight 240.346 g/mol
SMILES C=1C(=CC(=CC1OCCCC1=CC=CC=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843155