| SpectraBase Compound ID | 6QKobNev9fu |
|---|---|
| InChI | InChI=1S/C16H25NO4S/c1-11(2)14(15(18)21-16(4,5)6)17-22(19,20)13-9-7-12(3)8-10-13/h7-11,14,17H,1-6H3/t14-/m0/s1 |
| InChIKey | PISNTUWFJNPSIT-AWEZNQCLSA-N |
| Mol Weight | 327.44 g/mol |
| Molecular Formula | C16H25NO4S |
| Exact Mass | 327.150429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BEIqpkHy7We |
|---|---|
| Name | N-p-Toluenesulfonyl-L-valine tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.150429459 u |
| Formula | C16H25NO4S |
| InChI | InChI=1S/C16H25NO4S/c1-11(2)14(15(18)21-16(4,5)6)17-22(19,20)13-9-7-12(3)8-10-13/h7-11,14,17H,1-6H3/t14-/m0/s1 |
| InChIKey | PISNTUWFJNPSIT-AWEZNQCLSA-N |
| Molecular Weight | 327.439 g/mol |
| SMILES | C1=C(C=CC(=C1)C)S(N[C@](C(OC(C)(C)C)=O)(C(C)C)[H])(=O)=O |