| SpectraBase Spectrum ID |
4weQmHwyJyM |
| Name |
Pent-4-enoylamide, 2-methyl-N-benzyl-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.256214686 u |
| Formula |
C21H33NO |
| InChI |
InChI=1S/C21H33NO/c1-5-8-13-19(7-3)16-22(21(23)18(4)12-6-2)17-20-14-10-9-11-15-20/h6,9-11,14-15,18-19H,2,5,7-8,12-13,16-17H2,1,3-4H3 |
| InChIKey |
TWCUCLIBNRMFKN-UHFFFAOYSA-N |
| Molecular Weight |
315.501 g/mol |
| SMILES |
C(N(CC(CCCC)CC)CC1=CC=CC=C1)(=O)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844936 |
