| SpectraBase Spectrum ID |
1Q4vpr1l8zv |
| Name |
N-Carbobenzyloxy-4-chloroproline methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.076785695 u |
| Formula |
C14H16ClNO4 |
| InChI |
InChI=1S/C14H16ClNO4/c1-19-13(17)12-7-11(15)8-16(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3 |
| InChIKey |
QEFOLPMXQRASSL-UHFFFAOYSA-N |
| Molecular Weight |
297.738 g/mol |
| SMILES |
C1N(C(CC1Cl)C(OC)=O)C(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863445 |
