| SpectraBase Spectrum ID |
GLTs2Kv8Imo |
| Name |
L-Proline, N-(m-toluoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.120843408 u |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-10-5-3-6-11(9-10)13(16)15-8-4-7-12(15)14(17)18-2/h3,5-6,9,12H,4,7-8H2,1-2H3 |
| InChIKey |
QZCQSCWQKLPTLU-UHFFFAOYSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C1CCC(N1C(C1=CC(C)=CC=C1)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89491 |
