| SpectraBase Compound ID | 7ZNSytfHxGZ |
|---|---|
| InChI | InChI=1S/C10H18N2O6/c1-5(11-10(16)18-4)8(14)12-7(6(2)13)9(15)17-3/h5-7,13H,1-4H3,(H,11,16)(H,12,14) |
| InChIKey | BBYCFKVEPPDCFY-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C10H18N2O6 |
| Exact Mass | 262.116486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKcJBS1VB76 |
|---|---|
| Name | ala-thr, N-(Methoxycarbonyl)- methyl ester (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.116486302 u |
| Formula | C10H18N2O6 |
| InChI | InChI=1S/C10H18N2O6/c1-5(11-10(16)18-4)8(14)12-7(6(2)13)9(15)17-3/h5-7,13H,1-4H3,(H,11,16)(H,12,14) |
| InChIKey | BBYCFKVEPPDCFY-UHFFFAOYSA-N |
| Molecular Weight | 262.262 g/mol |
| SMILES | C(=O)(C(C)NC(OC)=O)NC(C(O)C)C(OC)=O |