| SpectraBase Spectrum ID |
9mdg3ekj66A |
| Name |
L-Proline, N-(3-phenylpropionyl)-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.183443666 u |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-2-3-14-22-18(21)16-10-7-13-19(16)17(20)12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3 |
| InChIKey |
CGNNAXYODMPEFS-UHFFFAOYSA-N |
| Molecular Weight |
303.402 g/mol |
| SMILES |
C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908217 |
