| SpectraBase Compound ID | L2L2AqDh3RF |
|---|---|
| InChI | InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1 |
| InChIKey | CJPQIRJHIZUAQP-MRXNPFEDSA-N |
| Mol Weight | 325.41 g/mol |
| Molecular Formula | C20H23NO3 |
| Exact Mass | 325.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5BX9kLewXh9 |
|---|---|
| Name | Benalaxyl-m |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.167793602 u |
| Formula | C20H23NO3 |
| InChI | InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1 |
| InChIKey | CJPQIRJHIZUAQP-MRXNPFEDSA-N |
| Molecular Weight | 325.408 g/mol |
| SMILES | C(=O)(OC)[C@](N(C1=C(C=CC=C1C)C)C(=O)CC1=CC=CC=C1)(C)[H] |