SpectraBase Spectrum ID |
CZr43lUvOu3 |
Name |
Acetamide, 2-phenyl-N-(2-butyl)-N-(hept-2-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.240564621 u |
Formula |
C19H31NO |
InChI |
InChI=1S/C19H31NO/c1-5-7-9-12-17(4)20(16(3)6-2)19(21)15-18-13-10-8-11-14-18/h8,10-11,13-14,16-17H,5-7,9,12,15H2,1-4H3 |
InChIKey |
IAEOOCIZHHVNPT-UHFFFAOYSA-N |
Molecular Weight |
289.463 g/mol |
SMILES |
C(N(C(CCCCC)C)C(CC)C)(=O)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908991 |