![butanamide, N-[3-(2-benzothiazolyl)-2-methylphenyl]-](/api/spectrum/G4acf6wVGsD/structure.png?h=300&w=458 "butanamide, N-[3-(2-benzothiazolyl)-2-methylphenyl]-")
| SpectraBase Compound ID | 84TwTxqRNuL |
|---|---|
| InChI | InChI=1S/C18H18N2OS/c1-3-7-17(21)19-14-10-6-8-13(12(14)2)18-20-15-9-4-5-11-16(15)22-18/h4-6,8-11H,3,7H2,1-2H3,(H,19,21) |
| InChIKey | XYIZJGPYEJNTHC-UHFFFAOYSA-N |
| Mol Weight | 310.42 g/mol |
| Molecular Formula | C18H18N2OS |
| Exact Mass | 310.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4acf6wVGsD |
|---|---|
| Name | Butanamide, N-[3-(2-benzothiazolyl)-2-methylphenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.113984381 u |
| Formula | C18H18N2OS |
| InChI | InChI=1S/C18H18N2OS/c1-3-7-17(21)19-14-10-6-8-13(12(14)2)18-20-15-9-4-5-11-16(15)22-18/h4-6,8-11H,3,7H2,1-2H3,(H,19,21) |
| InChIKey | XYIZJGPYEJNTHC-UHFFFAOYSA-N |
| SMILES | N(C=1C(=C(C2=NC=3C=CC=CC3S2)C=CC1)C)C(=O)CCC |