| SpectraBase Compound ID | KsM7UKKqBrj |
|---|---|
| InChI | InChI=1S/C16H29NO3/c1-12(2)8-7-11-20-16(19)13(3)17-15(18)14-9-5-4-6-10-14/h12-14H,4-11H2,1-3H3,(H,17,18) |
| InChIKey | MYWSMQNCBOZRAX-UHFFFAOYSA-N |
| Mol Weight | 283.41 g/mol |
| Molecular Formula | C16H29NO3 |
| Exact Mass | 283.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pbPsaAKEKj |
|---|---|
| Name | L-Alanine, N-(cyclohexylcarbonyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.214743795 u |
| Formula | C16H29NO3 |
| InChI | InChI=1S/C16H29NO3/c1-12(2)8-7-11-20-16(19)13(3)17-15(18)14-9-5-4-6-10-14/h12-14H,4-11H2,1-3H3,(H,17,18) |
| InChIKey | MYWSMQNCBOZRAX-UHFFFAOYSA-N |
| SMILES | C1CCCCC1C(NC(C(OCCCC(C)C)=O)C)=O |