| SpectraBase Compound ID | 3GBoIPLH8DR |
|---|---|
| InChI | InChI=1S/C12H22ClNO4/c1-3-5-8-17-11(15)10(6-4-2)14-12(16)18-9-7-13/h10H,3-9H2,1-2H3,(H,14,16) |
| InChIKey | UMPRSQPFLKWVKB-UHFFFAOYSA-N |
| Mol Weight | 279.76 g/mol |
| Molecular Formula | C12H22ClNO4 |
| Exact Mass | 279.123736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ktOJtG6Vyt |
|---|---|
| Name | L-Norvaline, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.123735888 u |
| Formula | C12H22ClNO4 |
| InChI | InChI=1S/C12H22ClNO4/c1-3-5-8-17-11(15)10(6-4-2)14-12(16)18-9-7-13/h10H,3-9H2,1-2H3,(H,14,16) |
| InChIKey | UMPRSQPFLKWVKB-UHFFFAOYSA-N |
| SMILES | CCCCOC(C(NC(OCCCl)=O)CCC)=O |