| SpectraBase Spectrum ID |
2kfFgdA4lAJ |
| Name |
Glycine, N-methyl-N-methoxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.162708221 u |
| Formula |
C12H23NO4 |
| InChI |
InChI=1S/C12H23NO4/c1-4-5-6-7-8-9-17-11(14)10-13(2)12(15)16-3/h4-10H2,1-3H3 |
| InChIKey |
VGVUAFYQYPTAOO-UHFFFAOYSA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
COC(N(CC(OCCCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851982 |
