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1,2,4,5-Tetrapentylbenzene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1,2,4,5-Tetrapentylbenzene
SpectraBase Compound ID 5HAgYVaRWWp
InChI InChI=1S/C26H46/c1-5-9-13-17-23-21-25(19-15-11-7-3)26(20-16-12-8-4)22-24(23)18-14-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey HLQIGUBKMVCBBZ-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 DtstoeBWgTo
Name 1,2,4,5-Tetrapentylbenzene
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/c1-5-9-13-17-23-21-25(19-15-11-7-3)26(20-16-12-8-4)22-24(23)18-14-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey HLQIGUBKMVCBBZ-UHFFFAOYSA-N
Molecular Weight 358.654 g/mol
SMILES C=1C(=C(C=C(C1CCCCC)CCCCC)CCCCC)CCCCC
Spectrum/Structure Validation Score (Raman) 0.95717