![Propyl 2-[(cyclohexylcarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate](/api/spectrum/B3FUGn6vzBV/structure.png?h=300&w=458 "Propyl 2-[(cyclohexylcarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate")
| SpectraBase Compound ID | 1v7DobpTor7 |
|---|---|
| InChI | InChI=1S/C17H25NO3S/c1-4-10-21-17(20)14-11(2)12(3)22-16(14)18-15(19)13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H,18,19) |
| InChIKey | XJPAAWAKNRGCRO-UHFFFAOYSA-N |
| Mol Weight | 323.45 g/mol |
| Molecular Formula | C17H25NO3S |
| Exact Mass | 323.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3FUGn6vzBV |
|---|---|
| Name | Propyl 2-[(cyclohexylcarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.155514840 u |
| Formula | C17H25NO3S |
| InChI | InChI=1S/C17H25NO3S/c1-4-10-21-17(20)14-11(2)12(3)22-16(14)18-15(19)13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H,18,19) |
| InChIKey | XJPAAWAKNRGCRO-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(=C(C)S1)C)C(=O)OCCC)C(=O)C1CCCCC1 |