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1-Docosyloxymethylbenzene

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

1-Docosyloxymethylbenzene
SpectraBase Compound ID 93PqTTHlpht
InChI InChI=1S/C29H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-28-29-25-22-21-23-26-29/h21-23,25-26H,2-20,24,27-28H2,1H3
InChIKey DLFUMMCNIGMWDW-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EZ87FWvlKJv
Name 1-Docosyloxymethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.401816293 u
Formula C29H52O
InChI InChI=1S/C29H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-28-29-25-22-21-23-26-29/h21-23,25-26H,2-20,24,27-28H2,1H3
InChIKey DLFUMMCNIGMWDW-UHFFFAOYSA-N
Molecular Weight 416.734 g/mol
SMILES C=1(C=CC=CC1)COCCCCCCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910426