| SpectraBase Compound ID | 8FVXZJtkktL |
|---|---|
| InChI | InChI=1S/C12H12N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15) |
| InChIKey | HLVXGRVIOASREC-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C12H12N2O3S |
| Exact Mass | 264.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LhxiCfi1Kp |
|---|---|
| Name | Butanedioic acid, monoamide, N-(6-methyl-2-benzothiazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.056863425 u |
| Formula | C12H12N2O3S |
| InChI | InChI=1S/C12H12N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15) |
| InChIKey | HLVXGRVIOASREC-UHFFFAOYSA-N |
| SMILES | C12=CC(=CC=C2N=C(S1)NC(=O)CCC(=O)O)C |