| SpectraBase Spectrum ID |
9oIvjLlYxkP |
| Name |
L-Proline, N-(3-phenylpropionyl)-, isobutyl 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/c1-14(2)13-22-18(21)16-9-6-12-19(16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3 |
| InChIKey |
VERBDNDRULKCDH-UHFFFAOYSA-N |
| Molecular Weight |
303.402 g/mol |
| SMILES |
C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88558 |
