| SpectraBase Compound ID | Dh3uRI88zAT |
|---|---|
| InChI | InChI=1S/C12H21NO6/c1-4-6-18-11(15)9(8-10(14)17-3)13-12(16)19-7-5-2/h9H,4-8H2,1-3H3,(H,13,16) |
| InChIKey | MFEXQYNSAIAMEZ-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C12H21NO6 |
| Exact Mass | 275.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUY9hufLBoN |
|---|---|
| Name | L-Aspartic acid, N-(N-propyloxycarbonyl)-, C(1)-(N-propyl) ester, C(4)-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.136887394 u |
| Formula | C12H21NO6 |
| InChI | InChI=1S/C12H21NO6/c1-4-6-18-11(15)9(8-10(14)17-3)13-12(16)19-7-5-2/h9H,4-8H2,1-3H3,(H,13,16) |
| InChIKey | MFEXQYNSAIAMEZ-UHFFFAOYSA-N |
| SMILES | C(C(C(OCCC)=O)NC(OCCC)=O)C(OC)=O |