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2-Phenylbutanamide, N-(2-phenylethyl)-N-hexyl-
SpectraBase Compound ID 5jhrp2xVlWE
InChI InChI=1S/C24H33NO/c1-3-5-6-13-19-25(20-18-21-14-9-7-10-15-21)24(26)23(4-2)22-16-11-8-12-17-22/h7-12,14-17,23H,3-6,13,18-20H2,1-2H3
InChIKey ITQZZUXEIMTVTL-UHFFFAOYSA-N
Mol Weight 351.5 g/mol
Molecular Formula C24H33NO
Exact Mass 351.256215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26JVM72cJvB
Name 2-Phenylbutanamide, N-(2-phenylethyl)-N-hexyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.256214686 u
Formula C24H33NO
InChI InChI=1S/C24H33NO/c1-3-5-6-13-19-25(20-18-21-14-9-7-10-15-21)24(26)23(4-2)22-16-11-8-12-17-22/h7-12,14-17,23H,3-6,13,18-20H2,1-2H3
InChIKey ITQZZUXEIMTVTL-UHFFFAOYSA-N
Molecular Weight 351.534 g/mol
SMILES CCC(C(=O)N(CCCCCC)CCC1=CC=CC=C1)C1=CC=CC=C1