| SpectraBase Compound ID | 1hLENWaTsRb |
|---|---|
| InChI | InChI=1S/C20H24N2O2S/c1-12(2)18(23)22-20-17(14-9-5-7-11-16(14)25-20)19(24)21-15-10-6-4-8-13(15)3/h4,6,8,10,12H,5,7,9,11H2,1-3H3,(H,21,24)(H,22,23) |
| InChIKey | VBTSXANWJWBRAQ-UHFFFAOYSA-N |
| Mol Weight | 356.48 g/mol |
| Molecular Formula | C20H24N2O2S |
| Exact Mass | 356.155849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bdpxl08YtK0 |
|---|---|
| Name | 2-(Isobutyrylamino)-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.155849193 u |
| Formula | C20H24N2O2S |
| InChI | InChI=1S/C20H24N2O2S/c1-12(2)18(23)22-20-17(14-9-5-7-11-16(14)25-20)19(24)21-15-10-6-4-8-13(15)3/h4,6,8,10,12H,5,7,9,11H2,1-3H3,(H,21,24)(H,22,23) |
| InChIKey | VBTSXANWJWBRAQ-UHFFFAOYSA-N |
| Molecular Weight | 356.484 g/mol |
| SMILES | N(C1=C(C(NC=2C(C)=CC=CC2)=O)C2=C(S1)CCCC2)C(=O)C(C)C |