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(1-Pentyl-allyloxymethoxy-methyl)-benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(1-Pentyl-allyloxymethoxy-methyl)-benzene
SpectraBase Compound ID Kv256rbXzzT
InChI InChI=1S/C16H24O2/c1-3-5-7-12-16(4-2)18-14-17-13-15-10-8-6-9-11-15/h4,6,8-11,16H,2-3,5,7,12-14H2,1H3
InChIKey HCXIDQAHMCETNA-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FDmj7aEh2CK
Name (1-Pentyl-allyloxymethoxy-methyl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-3-5-7-12-16(4-2)18-14-17-13-15-10-8-6-9-11-15/h4,6,8-11,16H,2-3,5,7,12-14H2,1H3
InChIKey HCXIDQAHMCETNA-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C1=CC=CC(=C1)COCOC(CCCCC)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862736