| SpectraBase Spectrum ID |
DO2Gg6gVoxt |
| Name |
L-Proline, N-(phenylacetyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.339944310 u |
| Formula |
C28H45NO3 |
| InChI |
InChI=1S/C28H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-32-28(31)26-21-18-22-29(26)27(30)24-25-19-15-14-16-20-25/h14-16,19-20,26H,2-13,17-18,21-24H2,1H3 |
| InChIKey |
PIRWLZJRMOFPQQ-UHFFFAOYSA-N |
| Molecular Weight |
443.672 g/mol |
| SMILES |
C(C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874154 |
