| SpectraBase Spectrum ID |
DsTzPZURGyk |
| Name |
Pent-4-enoylamide, 2-methyl-N-propyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.240564621 u |
| Formula |
C16H31NO |
| InChI |
InChI=1S/C16H31NO/c1-5-8-9-10-11-14-17(13-7-3)16(18)15(4)12-6-2/h6,15H,2,5,7-14H2,1,3-4H3 |
| InChIKey |
HLHSFAJCRGFZTC-UHFFFAOYSA-N |
| Molecular Weight |
253.430 g/mol |
| SMILES |
C(N(CCC)CCCCCCC)(=O)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963408 |
