| SpectraBase Spectrum ID |
AejrC07uoiU |
| Name |
Glycine, N-methoxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-3-4-5-6-7-8-16-10(13)9-12-11(14)15-2/h3-9H2,1-2H3,(H,12,14) |
| InChIKey |
PVNXVPIVQPBIGP-UHFFFAOYSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
COC(NCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807312 |
