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Isovaleramide, N-benzyl-N-hexadecyl-

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

Isovaleramide, N-benzyl-N-hexadecyl-
SpectraBase Compound ID IEDwgQuY3p3
InChI InChI=1S/C28H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(28(30)24-26(2)3)25-27-21-18-17-19-22-27/h17-19,21-22,26H,4-16,20,23-25H2,1-3H3
InChIKey QLNAQYBFSHZSFQ-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C28H49NO
Exact Mass 415.381415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bp3yx4i238
Name Isovaleramide, N-benzyl-N-hexadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.381415201 u
Formula C28H49NO
InChI InChI=1S/C28H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(28(30)24-26(2)3)25-27-21-18-17-19-22-27/h17-19,21-22,26H,4-16,20,23-25H2,1-3H3
InChIKey QLNAQYBFSHZSFQ-UHFFFAOYSA-N
Molecular Weight 415.706 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)CC(C)C