| SpectraBase Compound ID | Hcok4hFyNqQ |
|---|---|
| InChI | InChI=1S/C11H8ClNO4/c12-6-16-11(15)13-8-5-7-3-1-2-4-9(7)17-10(8)14/h1-5H,6H2,(H,13,15) |
| InChIKey | LBEICYFVVOZUGQ-UHFFFAOYSA-N |
| Mol Weight | 253.64 g/mol |
| Molecular Formula | C11H8ClNO4 |
| Exact Mass | 253.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lts8hIBjO4G |
|---|---|
| Name | Chloromethyl (coumarin-3-yl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.014185438 u |
| Formula | C11H8ClNO4 |
| InChI | InChI=1S/C11H8ClNO4/c12-6-16-11(15)13-8-5-7-3-1-2-4-9(7)17-10(8)14/h1-5H,6H2,(H,13,15) |
| InChIKey | LBEICYFVVOZUGQ-UHFFFAOYSA-N |
| Molecular Weight | 253.641 g/mol |
| SMILES | C1(OC2=C(C=C1NC(OCCl)=O)C=CC=C2)=O |