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Eicosane, 10-hexyl-10-methyl-

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

Eicosane, 10-hexyl-10-methyl-
SpectraBase Compound ID 1vsJ53tLrD8
InChI InChI=1S/C27H56/c1-5-8-11-14-16-18-20-23-26-27(4,24-21-13-10-7-3)25-22-19-17-15-12-9-6-2/h5-26H2,1-4H3
InChIKey SHJTUYDWGDNRHW-UHFFFAOYSA-N
Mol Weight 380.7 g/mol
Molecular Formula C27H56
Exact Mass 380.438202 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DdUVNN0hEY
Name Eicosane, 10-hexyl-10-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.438201803 u
Formula C27H56
InChI InChI=1S/C27H56/c1-5-8-11-14-16-18-20-23-26-27(4,24-21-13-10-7-3)25-22-19-17-15-12-9-6-2/h5-26H2,1-4H3
InChIKey SHJTUYDWGDNRHW-UHFFFAOYSA-N
Molecular Weight 380.745 g/mol
SMILES C(C(CCCCCCCCC)(CCCCCC)C)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90939