| SpectraBase Compound ID | Lj1vrrCR4fD |
|---|---|
| InChI | InChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15) |
| InChIKey | CFZFARSJRUJYDY-UHFFFAOYSA-N |
| Mol Weight | 241.63 g/mol |
| Molecular Formula | C10H8ClNO4 |
| Exact Mass | 241.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtobgngP7Zs |
|---|---|
| Name | 2H-1,4-Benzoxazine-4-acetic acid, 6-chloro-3,4-dihydro-3-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.014185438 u |
| Formula | C10H8ClNO4 |
| InChI | InChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15) |
| InChIKey | CFZFARSJRUJYDY-UHFFFAOYSA-N |
| Molecular Weight | 241.630 g/mol |
| SMILES | OC(CN1C2=C(C=CC(=C2)Cl)OCC1=O)=O |