| SpectraBase Compound ID | HQpwqnM5kzN |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-11(2)10-22-17(20)15(12(3)4)18-16(19)13-8-6-7-9-14(13)21-5/h6-9,11-12,15H,10H2,1-5H3,(H,18,19) |
| InChIKey | LTTONTFWPMOCJC-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwZe0Tsnx8t |
|---|---|
| Name | L-Valine, N-(2-methoxybenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-11(2)10-22-17(20)15(12(3)4)18-16(19)13-8-6-7-9-14(13)21-5/h6-9,11-12,15H,10H2,1-5H3,(H,18,19) |
| InChIKey | LTTONTFWPMOCJC-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=CC(=C(C=C1)C(NC(C(C)C)C(OCC(C)C)=O)=O)OC |