| SpectraBase Compound ID | 1izokG5y6HD |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-22-17(20)16(12-14-8-4-2-5-9-14)19-18(21)23-13-15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,19,21)/t16-/m0/s1 |
| InChIKey | GPCBBYINDBESQY-INIZCTEOSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OJukKJHQ9E |
|---|---|
| Name | Methyl 2-(benzyloxycarbonylamino)-3-cyclohexylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-22-17(20)16(12-14-8-4-2-5-9-14)19-18(21)23-13-15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,19,21)/t16-/m0/s1 |
| InChIKey | GPCBBYINDBESQY-INIZCTEOSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C(N[C@](C(=O)OC)(CC1CCCCC1)[H])(=O)OCC1=CC=CC=C1 |