| SpectraBase Compound ID | IqxWnxTrhe3 |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-12(2)6-5-11-22-17(20)13(3)18-16(19)14-7-9-15(21-4)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,19) |
| InChIKey | MRKSZAQGUPAGIV-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 | 4ZayRLoXz2O |
|---|---|
| Name | D-Alanine, N-(4-anisoyl)-, 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/c1-12(2)6-5-11-22-17(20)13(3)18-16(19)14-7-9-15(21-4)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,19) |
| InChIKey | MRKSZAQGUPAGIV-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCC(C)C)=O)C |