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Hexanamide, 6-bromo-N-butyl-N-octadecyl-

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

Hexanamide, 6-bromo-N-butyl-N-octadecyl-
SpectraBase Compound ID DXkzaxwKSx1
InChI InChI=1S/C28H56BrNO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-30(26-6-4-2)28(31)24-21-20-22-25-29/h3-27H2,1-2H3
InChIKey HYNCPPPCQXPZBO-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C28H56BrNO
Exact Mass 501.354528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A7ehTpaQNNu
Name Hexanamide, 6-bromo-N-butyl-N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.354528426 u
Formula C28H56BrNO
InChI InChI=1S/C28H56BrNO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-30(26-6-4-2)28(31)24-21-20-22-25-29/h3-27H2,1-2H3
InChIKey HYNCPPPCQXPZBO-UHFFFAOYSA-N
Molecular Weight 502.666 g/mol
SMILES C(=O)(N(CCCC)CCCCCCCCCCCCCCCCCC)CCCCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919461