| SpectraBase Compound ID | 27g4753sPlh |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-7-9(4)10(11(14)16-6)13(5)12(15)17-8(2)3/h8-10H,7H2,1-6H3 |
| InChIKey | CUJAMQFOVUQOET-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 | K9KvelQgXtr |
|---|---|
| Name | L-Isoleucine, N-methyl-N-(isopropyloxycarbonyl)-, methyl 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/c1-7-9(4)10(11(14)16-6)13(5)12(15)17-8(2)3/h8-10H,7H2,1-6H3 |
| InChIKey | CUJAMQFOVUQOET-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CCC(C(C(OC)=O)N(C)C(OC(C)C)=O)C |