![3-[[1-[(4-Methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]phenyl butanoate](/api/spectrum/DPYNh5SYM3p/structure.png?h=300&w=458 "3-[[1-[(4-Methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]phenyl butanoate")
| SpectraBase Compound ID | 8qM8tIOp9hH |
|---|---|
| InChI | InChI=1S/C26H28N2O5S/c1-3-8-25(29)33-22-12-7-11-21(18-22)27-26(30)24(17-20-9-5-4-6-10-20)28-34(31,32)23-15-13-19(2)14-16-23/h4-7,9-16,18,24,28H,3,8,17H2,1-2H3,(H,27,30) |
| InChIKey | LPTBGZWLVMJMRJ-UHFFFAOYSA-N |
| Mol Weight | 480.58 g/mol |
| Molecular Formula | C26H28N2O5S |
| Exact Mass | 480.171893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPYNh5SYM3p |
|---|---|
| Name | 3-[[1-[(4-Methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]phenyl butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 480.171893179 u |
| Formula | C26H28N2O5S |
| InChI | InChI=1S/C26H28N2O5S/c1-3-8-25(29)33-22-12-7-11-21(18-22)27-26(30)24(17-20-9-5-4-6-10-20)28-34(31,32)23-15-13-19(2)14-16-23/h4-7,9-16,18,24,28H,3,8,17H2,1-2H3,(H,27,30) |
| InChIKey | LPTBGZWLVMJMRJ-UHFFFAOYSA-N |
| Molecular Weight | 480.579 g/mol |
| SMILES | C(NS(C1=CC=C(C)C=C1)(=O)=O)(C(=O)NC1=CC=CC(OC(CCC)=O)=C1)CC1=CC=CC=C1 |