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Benzene, (1-octyldodecyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Benzene, (1-octyldodecyl)-
SpectraBase Compound ID IvN5eqmtMWv
InChI InChI=1S/C26H46/c1-3-5-7-9-11-12-13-15-18-22-25(26-23-19-16-20-24-26)21-17-14-10-8-6-4-2/h16,19-20,23-25H,3-15,17-18,21-22H2,1-2H3
InChIKey KZUKFVROQBTEQY-UHFFFAOYSA-N
Mol Weight 358.7 g/mol
Molecular Formula C26H46
Exact Mass 358.359951 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ABUKuD654z2
Name Benzene, (1-octyldodecyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.359951481 u
Formula C26H46
InChI InChI=1S/C26H46/c1-3-5-7-9-11-12-13-15-18-22-25(26-23-19-16-20-24-26)21-17-14-10-8-6-4-2/h16,19-20,23-25H,3-15,17-18,21-22H2,1-2H3
InChIKey KZUKFVROQBTEQY-UHFFFAOYSA-N
Molecular Weight 358.654 g/mol
SMILES C(C(CCCCCCCC)C1=CC=CC=C1)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920802