| SpectraBase Compound ID | LrrufM2J0t1 |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-6(2)14-9(12)10-5-7(3)8(11)13-4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m1/s1 |
| InChIKey | APPWQEDMATTYED-SSDOTTSWSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GirSvPw0fi9 |
|---|---|
| Name | L-3-Aminoisobutyric acid, N-(isopropyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| 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)14-9(12)10-5-7(3)8(11)13-4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m1/s1 |
| InChIKey | APPWQEDMATTYED-SSDOTTSWSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | C(NC(OC(C)C)=O)[C@@](C)(C(OC)=O)[H] |