| SpectraBase Compound ID | L0WrOneWPCD |
|---|---|
| InChI | InChI=1S/C11H7ClO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3 |
| InChIKey | VYMAEQZQRVDKQZ-UHFFFAOYSA-N |
| Mol Weight | 222.63 g/mol |
| Molecular Formula | C11H7ClO3 |
| Exact Mass | 222.008372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C7rosznGyZj |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 3-acetyl-6-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.008371782 u |
| Formula | C11H7ClO3 |
| InChI | InChI=1S/C11H7ClO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3 |
| InChIKey | VYMAEQZQRVDKQZ-UHFFFAOYSA-N |
| Molecular Weight | 222.627 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC(Cl)=CC2)=O)C(C)=O |