| SpectraBase Spectrum ID |
BnclWZWgHq6 |
| Name |
ala-gly, N-(Ethoxycarbonyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.121571683 u |
| Formula |
C10H18N2O5 |
| InChI |
InChI=1S/C10H18N2O5/c1-4-16-8(13)6-11-9(14)7(3)12-10(15)17-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15) |
| InChIKey |
JAQZRWQDRLIURP-UHFFFAOYSA-N |
| Molecular Weight |
246.263 g/mol |
| SMILES |
C(NCC(=O)OCC)(=O)C(NC(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896434 |
