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Hexanamide, 3,5,5-trimethyl-N-benzyl-N-undecyl-

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

Hexanamide, 3,5,5-trimethyl-N-benzyl-N-undecyl-
SpectraBase Compound ID 9p87UtJzFp3
InChI InChI=1S/C27H47NO/c1-6-7-8-9-10-11-12-13-17-20-28(23-25-18-15-14-16-19-25)26(29)21-24(2)22-27(3,4)5/h14-16,18-19,24H,6-13,17,20-23H2,1-5H3
InChIKey USOHNPKBRCNWCI-UHFFFAOYSA-N
Mol Weight 401.7 g/mol
Molecular Formula C27H47NO
Exact Mass 401.365765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IQZplJeBIpY
Name Hexanamide, 3,5,5-trimethyl-N-benzyl-N-undecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.365765136 u
Formula C27H47NO
InChI InChI=1S/C27H47NO/c1-6-7-8-9-10-11-12-13-17-20-28(23-25-18-15-14-16-19-25)26(29)21-24(2)22-27(3,4)5/h14-16,18-19,24H,6-13,17,20-23H2,1-5H3
InChIKey USOHNPKBRCNWCI-UHFFFAOYSA-N
Molecular Weight 401.679 g/mol
SMILES C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)CC(C)CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870621