| SpectraBase Compound ID | KA2p8IPkCbH |
|---|---|
| InChI | InChI=1S/C17H24N2O4S/c1-17(2,3)16(23)19-12-8-6-5-7-11(12)14(20)18-13(15(21)22)9-10-24-4/h5-8,13H,9-10H2,1-4H3,(H,18,20)(H,19,23)(H,21,22) |
| InChIKey | XSHMIRINUGXBOW-UHFFFAOYSA-N |
| Mol Weight | 352.45 g/mol |
| Molecular Formula | C17H24N2O4S |
| Exact Mass | 352.145678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJ9R1ipN5YS |
|---|---|
| Name | N-(1-Carboxy-3-methylthio-1-propyl)-2-pivaloylamidobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.145678431 u |
| Formula | C17H24N2O4S |
| InChI | InChI=1S/C17H24N2O4S/c1-17(2,3)16(23)19-12-8-6-5-7-11(12)14(20)18-13(15(21)22)9-10-24-4/h5-8,13H,9-10H2,1-4H3,(H,18,20)(H,19,23)(H,21,22) |
| InChIKey | XSHMIRINUGXBOW-UHFFFAOYSA-N |
| Molecular Weight | 352.449 g/mol |
| SMILES | N(C(C(C)(C)C)=O)c1c(C(NC(C(=O)O)CCSC)=O)cccc1 |