| SpectraBase Compound ID | CARJsX1SSXS |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-6-9-12-23-18(21)16(13(2)3)19-17(20)14-10-7-8-11-15(14)22-4/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3,(H,19,20) |
| InChIKey | RHMMGDGDKLRIKH-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 | 2jN4iL0RNfX |
|---|---|
| Name | L-Valine, N-(2-methoxybenzoyl)-, pentyl 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/c1-5-6-9-12-23-18(21)16(13(2)3)19-17(20)14-10-7-8-11-15(14)22-4/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3,(H,19,20) |
| InChIKey | RHMMGDGDKLRIKH-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1=CC=CC(=C1OC)C(NC(C(C)C)C(=O)OCCCCC)=O |