| SpectraBase Spectrum ID |
9nZ7aAvxn81 |
| Name |
Ethylglycyl-ethylglycine, N-ethoxycarbonyl-, ethyl ester (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.168521876 u |
| Formula |
C13H24N2O5 |
| InChI |
InChI=1S/C13H24N2O5/c1-5-9(15-13(18)20-8-4)11(16)14-10(6-2)12(17)19-7-3/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,18) |
| InChIKey |
RLBOKVQYFWKWJT-UHFFFAOYSA-N |
| SMILES |
C(C(C(NC(CC)C(OCC)=O)=O)NC(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973867 |
