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2-(6-(Benzyloxy)hexyl)-1,3,5-trimethylbenzene

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

2-(6-(Benzyloxy)hexyl)-1,3,5-trimethylbenzene
SpectraBase Compound ID 6OBHojgQzFG
InChI InChI=1S/C22H30O/c1-18-15-19(2)22(20(3)16-18)13-9-4-5-10-14-23-17-21-11-7-6-8-12-21/h6-8,11-12,15-16H,4-5,9-10,13-14,17H2,1-3H3
InChIKey WCHSHKYRUXFCGA-UHFFFAOYSA-N
Mol Weight 310.48 g/mol
Molecular Formula C22H30O
Exact Mass 310.229666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Y4zzaiH4ge
Name 2-(6-(Benzyloxy)hexyl)-1,3,5-trimethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.229665585 u
Formula C22H30O
InChI InChI=1S/C22H30O/c1-18-15-19(2)22(20(3)16-18)13-9-4-5-10-14-23-17-21-11-7-6-8-12-21/h6-8,11-12,15-16H,4-5,9-10,13-14,17H2,1-3H3
InChIKey WCHSHKYRUXFCGA-UHFFFAOYSA-N
Molecular Weight 310.481 g/mol
SMILES C=1(C(=C(C=C(C1)C)C)CCCCCCOCC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912856