SpectraBase Spectrum ID |
DjT6M0xI2UA |
Name |
Benzamide, 4-butyl-N-(2-phenylethyl)-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
533.459665523 u |
Formula |
C37H59NO |
InChI |
InChI=1S/C37H59NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-38(33-31-34-25-21-20-22-26-34)37(39)36-29-27-35(28-30-36)24-6-4-2/h20-22,25-30H,3-19,23-24,31-33H2,1-2H3 |
InChIKey |
DIVAIALXTYTVJD-UHFFFAOYSA-N |
Molecular Weight |
533.885 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)CCCC)CCCCCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883901 |