| SpectraBase Compound ID | J6tqVsr3GVY |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-14(2)9-8-12-22-17(20)15(3)19(4)18(21)23-13-16-10-6-5-7-11-16/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3 |
| InChIKey | RREBILJHRZIELZ-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73kKhYwLJyI |
|---|---|
| Name | Alanine, N-methyl-N-benzyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-14(2)9-8-12-22-17(20)15(3)19(4)18(21)23-13-16-10-6-5-7-11-16/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3 |
| InChIKey | RREBILJHRZIELZ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1=CC=CC(=C1)COC(N(C(C(OCCCC(C)C)=O)C)C)=O |