| SpectraBase Compound ID | 2H04c5mrmUT |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-6(2)10-7(9(12)14-4)5-8(11)13-3/h6-7,10H,5H2,1-4H3 |
| InChIKey | NOGBMCDMHIDSJY-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H833X0srpho |
|---|---|
| Name | L-Aspartic acid, N-isopropyl-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.115758027 u |
| Formula | C9H17NO4 |
| InChI | InChI=1S/C9H17NO4/c1-6(2)10-7(9(12)14-4)5-8(11)13-3/h6-7,10H,5H2,1-4H3 |
| InChIKey | NOGBMCDMHIDSJY-UHFFFAOYSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | COC(=O)CC(NC(C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965425 |