| SpectraBase Compound ID | 42EHy7FEXjf |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-9-6-4-5-7-12(9)18-8-11(13(16)17-3)14-10(2)15/h4-7,11H,8H2,1-3H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | AEYDMRQMXJJWTG-NSHDSACASA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YQVR2cqWth |
|---|---|
| Name | me-Nacs |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-9-6-4-5-7-12(9)18-8-11(13(16)17-3)14-10(2)15/h4-7,11H,8H2,1-3H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | AEYDMRQMXJJWTG-NSHDSACASA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | [C@@](C(=O)OC)(NC(=O)C)(COC1=C(C)C=CC=C1)[H] |