| SpectraBase Spectrum ID |
8gxoSKfvbAn |
| Name |
Acetamide, 2-(4-methoxyphenyl)-N-(2-pentyl)-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.266779369 u |
| Formula |
C21H35NO2 |
| InChI |
InChI=1S/C21H35NO2/c1-5-7-8-9-10-16-22(18(3)11-6-2)21(23)17-19-12-14-20(24-4)15-13-19/h12-15,18H,5-11,16-17H2,1-4H3 |
| InChIKey |
JNGRCXLIHIPOOQ-UHFFFAOYSA-N |
| Molecular Weight |
333.516 g/mol |
| SMILES |
C(N(CCCCCCC)C(CCC)C)(=O)CC=1C=CC(OC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883662 |
