SpectraBase Spectrum ID |
EsHp06pmD8W |
Name |
2-Phenylbutanamide, N-(2-phenylethyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
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 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966224 |