| SpectraBase Compound ID | JYVRraJ64RL |
|---|---|
| InChI | InChI=1S/C9H9ClO3/c1-7-2-4-8(5-3-7)13-9(11)12-6-10/h2-5H,6H2,1H3 |
| InChIKey | JIJGAYFHLLWZJM-UHFFFAOYSA-N |
| Mol Weight | 200.62 g/mol |
| Molecular Formula | C9H9ClO3 |
| Exact Mass | 200.024022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCi4MffsWSX |
|---|---|
| Name | Carbonic acid, chloromethyl (4-methylphenyl) diester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.024021847 u |
| Formula | C9H9ClO3 |
| InChI | InChI=1S/C9H9ClO3/c1-7-2-4-8(5-3-7)13-9(11)12-6-10/h2-5H,6H2,1H3 |
| InChIKey | JIJGAYFHLLWZJM-UHFFFAOYSA-N |
| Molecular Weight | 200.621 g/mol |
| SMILES | C(OCCl)(OC1=CC=C(C)C=C1)=O |