| SpectraBase Compound ID | HT6PfDSir2R |
|---|---|
| InChI | InChI=1S/C18H23NO3S/c1-15(2)18(14-22-23(3,20)21)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3/t18-/m1/s1 |
| InChIKey | MYZUWRGWUUTGPK-GOSISDBHSA-N |
| Mol Weight | 333.45 g/mol |
| Molecular Formula | C18H23NO3S |
| Exact Mass | 333.139865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ck8l1bVUuTd |
|---|---|
| Name | (S)-N,N-Diphenylvalinol mesylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.139864776 u |
| Formula | C18H23NO3S |
| InChI | InChI=1S/C18H23NO3S/c1-15(2)18(14-22-23(3,20)21)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3/t18-/m1/s1 |
| InChIKey | MYZUWRGWUUTGPK-GOSISDBHSA-N |
| Molecular Weight | 333.446 g/mol |
| SMILES | C(OS(=O)(=O)C)[C@@](N(C1=CC=CC=C1)C1=CC=CC=C1)(C(C)C)[H] |