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11,16-Bis-decyl-hexacosane

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

11,16-Bis-decyl-hexacosane
SpectraBase Compound ID GwDzpjMb33i
InChI InChI=1S/C46H94/c1-5-9-13-17-21-25-29-33-39-45(40-34-30-26-22-18-14-10-6-2)43-37-38-44-46(41-35-31-27-23-19-15-11-7-3)42-36-32-28-24-20-16-12-8-4/h45-46H,5-44H2,1-4H3
InChIKey DJOOEZMZUMXNFD-UHFFFAOYSA-N
Mol Weight 647.3 g/mol
Molecular Formula C46H94
Exact Mass 646.735553 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F9f7mpzy6fm
Name 11,16-bis-Decyl-hexacosane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.735553027 u
Formula C46H94
InChI InChI=1S/C46H94/c1-5-9-13-17-21-25-29-33-39-45(40-34-30-26-22-18-14-10-6-2)43-37-38-44-46(41-35-31-27-23-19-15-11-7-3)42-36-32-28-24-20-16-12-8-4/h45-46H,5-44H2,1-4H3
InChIKey DJOOEZMZUMXNFD-UHFFFAOYSA-N
SMILES CCCCCCCCCCC(CCCCCCCCCC)CCCCC(CCCCCCCCCC)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854725