| SpectraBase Compound ID | AT1L3RS1j32 |
|---|---|
| InChI | InChI=1S/C11H10ClNO4/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15) |
| InChIKey | CNOULAOXZGSIEF-UHFFFAOYSA-N |
| Mol Weight | 255.66 g/mol |
| Molecular Formula | C11H10ClNO4 |
| Exact Mass | 255.029836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZKpJ7zTmsn |
|---|---|
| Name | Methyl (6-chloro-2H-1,4-benzoxazin-3(4H)-one-2-yl) acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.029835502 u |
| Formula | C11H10ClNO4 |
| InChI | InChI=1S/C11H10ClNO4/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15) |
| InChIKey | CNOULAOXZGSIEF-UHFFFAOYSA-N |
| Molecular Weight | 255.657 g/mol |
| SMILES | C12=C(OC(C(N2)=O)CC(OC)=O)C=CC(=C1)Cl |