| SpectraBase Compound ID | 3ERjJ9i2rVL |
|---|---|
| InChI | InChI=1S/C9H16N2O5/c1-5(2)16-9(14)11-6(4-7(10)12)8(13)15-3/h5-6H,4H2,1-3H3,(H2,10,12)(H,11,14) |
| InChIKey | GNKCSBLYAYWKGD-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C9H16N2O5 |
| Exact Mass | 232.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUoCiZD7Qt6 |
|---|---|
| Name | L-Asparagine, N-isopropyloxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.105921618 u |
| Formula | C9H16N2O5 |
| InChI | InChI=1S/C9H16N2O5/c1-5(2)16-9(14)11-6(4-7(10)12)8(13)15-3/h5-6H,4H2,1-3H3,(H2,10,12)(H,11,14) |
| InChIKey | GNKCSBLYAYWKGD-UHFFFAOYSA-N |
| Molecular Weight | 232.236 g/mol |
| SMILES | C(=O)(OC)C(NC(OC(C)C)=O)CC(=O)N |