| SpectraBase Spectrum ID |
ChPT3xavjb9 |
| Name |
Glycine, N-methyl-N-isobutoxycarbonyl-, isobutyl 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/c1-9(2)7-16-11(14)6-13(5)12(15)17-8-10(3)4/h9-10H,6-8H2,1-5H3 |
| InChIKey |
HDZHPJOCIDYSCN-UHFFFAOYSA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
CC(COC(N(C)CC(OCC(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976621 |
