| SpectraBase Compound ID | aJfSONw036 |
|---|---|
| InChI | InChI=1S/C13H9NO3S/c15-12-10-5-1-2-6-11(10)14(13(16)17-12)8-9-4-3-7-18-9/h1-7H,8H2 |
| InChIKey | UCSCWNCGKBGVIC-UHFFFAOYSA-N |
| Mol Weight | 259.28 g/mol |
| Molecular Formula | C13H9NO3S |
| Exact Mass | 259.030314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfMxFNMJrbk |
|---|---|
| Name | 1-(2-Thenyl)-2H-3,1-benzoxazine-2,4(1H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.030314325 u |
| Formula | C13H9NO3S |
| InChI | InChI=1S/C13H9NO3S/c15-12-10-5-1-2-6-11(10)14(13(16)17-12)8-9-4-3-7-18-9/h1-7H,8H2 |
| InChIKey | UCSCWNCGKBGVIC-UHFFFAOYSA-N |
| SMILES | C=12C=CC=CC1N(C(OC2=O)=O)CC=1SC=CC1 |