| SpectraBase Compound ID | H0De8HQgA9J |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-13(2)6-5-11-22-16(19)9-10-18-17(20)14-7-4-8-15(12-14)21-3/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,18,20) |
| InChIKey | YJAQMFQDUDNRHR-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 | 8yW61i3ubJU |
|---|---|
| Name | .beta.-Alanine, N-(3-methoxybenzoyl)-, isohexyl 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/c1-13(2)6-5-11-22-16(19)9-10-18-17(20)14-7-4-8-15(12-14)21-3/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,18,20) |
| InChIKey | YJAQMFQDUDNRHR-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=C(C=CC=C1C(NCCC(OCCCC(C)C)=O)=O)OC |