| SpectraBase Compound ID | 4MOfPjdGP3S |
|---|---|
| InChI | InChI=1S/C9H9ClO3/c10-6-7-12-9(11)13-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | WJEJDRWBQAGQIY-UHFFFAOYSA-N |
| Mol Weight | 200.62 g/mol |
| Molecular Formula | C9H9ClO3 |
| Exact Mass | 200.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2DnjWtuvNzd |
|---|---|
| Name | Carbonic acid, 2-chloroethyl phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.024021847 u |
| Formula | C9H9ClO3 |
| InChI | InChI=1S/C9H9ClO3/c10-6-7-12-9(11)13-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | WJEJDRWBQAGQIY-UHFFFAOYSA-N |
| Molecular Weight | 200.621 g/mol |
| SMILES | C(CCl)OC(=O)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964104 |