| SpectraBase Compound ID | 406MT6NRudZ |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-13(2)7-6-12-23-19(22)17(14(3)4)20-18(21)16-10-8-15(5)9-11-16/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,20,21) |
| InChIKey | MNPSLAIKQFGFJW-UHFFFAOYSA-N |
| Mol Weight | 319.45 g/mol |
| Molecular Formula | C19H29NO3 |
| Exact Mass | 319.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gHmUhhvzOU |
|---|---|
| Name | L-Valine, N-(4-methylbenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.214743795 u |
| Formula | C19H29NO3 |
| InChI | InChI=1S/C19H29NO3/c1-13(2)7-6-12-23-19(22)17(14(3)4)20-18(21)16-10-8-15(5)9-11-16/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,20,21) |
| InChIKey | MNPSLAIKQFGFJW-UHFFFAOYSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCC(C)C)=O)C |