| SpectraBase Compound ID | 7X2eK5wiFrw |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-3-4-5-6-7-12-9(11(14)15)8-10(13)16-2/h9,12H,3-8H2,1-2H3,(H,14,15) |
| InChIKey | HYWOTEAZBCZSQO-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C11H21NO4 |
| Exact Mass | 231.147058 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 649wAuQP1zL |
|---|---|
| Name | dl-N-Hexylaspartic acid, 4-methyl 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/c1-3-4-5-6-7-12-9(11(14)15)8-10(13)16-2/h9,12H,3-8H2,1-2H3,(H,14,15) |
| InChIKey | HYWOTEAZBCZSQO-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | N(C(C(O)=O)CC(OC)=O)CCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.967945 |