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(E)-3-pentacosene

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

(E)-3-pentacosene
SpectraBase Compound ID 9dihRHfkaOg
InChI InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-25H2,1-2H3/b7-5+
InChIKey QCEDYAMAEATOMP-FNORWQNLSA-N
Mol Weight 350.7 g/mol
Molecular Formula C25H50
Exact Mass 350.391252 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID wEwFvhAoIK
Name (E)-3-Pentacosene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.391251610 u
Formula C25H50
InChI InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-25H2,1-2H3/b7-5+
InChIKey QCEDYAMAEATOMP-FNORWQNLSA-N
Molecular Weight 350.675 g/mol
SMILES C(\C=C\CC)CCCCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964752