| SpectraBase Spectrum ID |
IOCc2QRyg3b |
| Name |
L-Proline, N-(4-butylbenzoyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.199093730 u |
| Formula |
C19H27NO3 |
| InChI |
InChI=1S/C19H27NO3/c1-3-5-7-15-9-11-16(12-10-15)18(21)20-13-6-8-17(20)19(22)23-14-4-2/h9-12,17H,3-8,13-14H2,1-2H3 |
| InChIKey |
VRMPKLJINLXJNN-UHFFFAOYSA-N |
| Molecular Weight |
317.429 g/mol |
| SMILES |
C(CC1=CC=C(C=C1)C(N1CCCC1C(OCCC)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856462 |
