| SpectraBase Spectrum ID |
H8k6gKIgWje |
| Name |
Pyrrolidine-3-carboxylic acid, N-carbobenzyloxy-4-iodo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.012402995 u |
| Formula |
C14H16INO4 |
| InChI |
InChI=1S/C14H16INO4/c1-19-13(17)11-7-16(8-12(11)15)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3 |
| InChIKey |
XCYBCFKZWVCDAP-UHFFFAOYSA-N |
| Molecular Weight |
389.189 g/mol |
| SMILES |
C1N(CC(C1I)C(=O)OC)C(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913663 |
