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Hexanamide, 6-bromo-N-butyl-N-dodecyl-

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

Hexanamide, 6-bromo-N-butyl-N-dodecyl-
SpectraBase Compound ID FCyPwU44dT2
InChI InChI=1S/C22H44BrNO/c1-3-5-7-8-9-10-11-12-13-17-21-24(20-6-4-2)22(25)18-15-14-16-19-23/h3-21H2,1-2H3
InChIKey HMCSFFZKOHYDGL-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H44BrNO
Exact Mass 417.260628 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3tBWludZ8zk
Name Hexanamide, 6-bromo-N-butyl-N-dodecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.260628040 u
Formula C22H44BrNO
InChI InChI=1S/C22H44BrNO/c1-3-5-7-8-9-10-11-12-13-17-21-24(20-6-4-2)22(25)18-15-14-16-19-23/h3-21H2,1-2H3
InChIKey HMCSFFZKOHYDGL-UHFFFAOYSA-N
Molecular Weight 418.504 g/mol
SMILES C(=O)(N(CCCC)CCCCCCCCCCCC)CCCCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949216