| SpectraBase Spectrum ID |
9yjdrVcRe8u |
| Name |
ala-pro, N-Isopropyloxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.152871811 u |
| Formula |
C13H22N2O5 |
| InChI |
InChI=1S/C13H22N2O5/c1-8(2)20-13(18)14-9(3)11(16)15-7-5-6-10(15)12(17)19-4/h8-10H,5-7H2,1-4H3,(H,14,18) |
| InChIKey |
FOASPNYQLZTRJQ-UHFFFAOYSA-N |
| Molecular Weight |
286.328 g/mol |
| SMILES |
C(=O)(C(NC(OC(C)C)=O)C)N1C(C(=O)OC)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85684 |
