SpectraBase Spectrum ID |
76RohR6uSoU |
Name |
Benzamide, 4-ethyl-N-(2-pentyl)-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
331.287514814 u |
Formula |
C22H37NO |
InChI |
InChI=1S/C22H37NO/c1-6-10-12-20(9-4)17-23(18(5)11-7-2)22(24)21-15-13-19(8-3)14-16-21/h13-16,18,20H,6-12,17H2,1-5H3 |
InChIKey |
XARMNSFGHWUYEI-UHFFFAOYSA-N |
Molecular Weight |
331.544 g/mol |
SMILES |
C(C1=CC=C(C=C1)CC)(=O)N(CC(CCCC)CC)C(CCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953031 |