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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-dodecyl-

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

3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-dodecyl-
SpectraBase Compound ID BAqdi4LhqPl
InChI InChI=1S/C29H51NO/c1-6-7-8-9-10-11-12-13-14-18-22-30(23-21-27-19-16-15-17-20-27)28(31)24-26(2)25-29(3,4)5/h15-17,19-20,26H,6-14,18,21-25H2,1-5H3
InChIKey VRFMGUACVPBXQS-UHFFFAOYSA-N
Mol Weight 429.7 g/mol
Molecular Formula C29H51NO
Exact Mass 429.397065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTQsvGKDnv2
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-dodecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.397065265 u
Formula C29H51NO
InChI InChI=1S/C29H51NO/c1-6-7-8-9-10-11-12-13-14-18-22-30(23-21-27-19-16-15-17-20-27)28(31)24-26(2)25-29(3,4)5/h15-17,19-20,26H,6-14,18,21-25H2,1-5H3
InChIKey VRFMGUACVPBXQS-UHFFFAOYSA-N
Molecular Weight 429.733 g/mol
SMILES C(CC(CC(N(CCCCCCCCCCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C