| SpectraBase Spectrum ID |
8eASIOpuVpt |
| Name |
.beta.-ala-.beta.-ala, N-Ethoxycarbonyl-, methyl 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/c1-3-17-10(15)12-6-4-8(13)11-7-5-9(14)16-2/h3-7H2,1-2H3,(H,11,13)(H,12,15) |
| InChIKey |
MOOZQTBFTUPVNO-UHFFFAOYSA-N |
| Molecular Weight |
246.263 g/mol |
| SMILES |
C(C(=O)NCCC(=O)OC)CNC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947261 |
