| SpectraBase Spectrum ID |
IHwVLusZFHz |
| Name |
L-Proline, N-(phenylacetyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-2-11-20-16(19)14-9-6-10-17(14)15(18)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3 |
| InChIKey |
PQOPDPJUQMLYBL-UHFFFAOYSA-N |
| Molecular Weight |
275.348 g/mol |
| SMILES |
C(C(N1CCCC1C(OCCC)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959582 |
