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1-Butyl-4-hexadecylbenzene

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

1-Butyl-4-hexadecylbenzene
SpectraBase Compound ID 5A2hJuMonX4
InChI InChI=1S/C26H46/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-26-23-21-25(22-24-26)19-6-4-2/h21-24H,3-20H2,1-2H3
InChIKey GFEUOIIYSFCLTH-UHFFFAOYSA-N
Mol Weight 358.7 g/mol
Molecular Formula C26H46
Exact Mass 358.359951 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID L3ILwNrGsrA
Name 1-Butyl-4-hexadecylbenzene
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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-26-23-21-25(22-24-26)19-6-4-2/h21-24H,3-20H2,1-2H3
InChIKey GFEUOIIYSFCLTH-UHFFFAOYSA-N
Molecular Weight 358.654 g/mol
SMILES C1=C(C=CC(=C1)CCCCCCCCCCCCCCCC)CCCC
Spectrum/Structure Validation Score (Raman) 0.995381