| SpectraBase Compound ID | LDEzb05zK1q |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-9(2)16-11(14)7-5-6-8-13-12(15)17-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | QUMBUBRQUVUAHT-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2R4OfBZqrt |
|---|---|
| Name | 5-Aminovaleric acid, N-isopropyloxycarbonyl-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-9(2)16-11(14)7-5-6-8-13-12(15)17-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | QUMBUBRQUVUAHT-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | C(NC(OC(C)C)=O)CCCC(OC(C)C)=O |