SpectraBase Spectrum ID |
F7cPQQVSVHT |
Name |
Benzamide, 4-butyl-N-(2-phenylethyl)-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.224914557 u |
Formula |
C22H29NO |
InChI |
InChI=1S/C22H29NO/c1-3-5-9-20-12-14-21(15-13-20)22(24)23(17-4-2)18-16-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-18H2,1-2H3 |
InChIKey |
SNDVGZMKCPHWFH-UHFFFAOYSA-N |
Molecular Weight |
323.480 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)CCCC)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952735 |