| SpectraBase Compound ID | on7I4OEKDN |
|---|---|
| InChI | InChI=1S/C9H9ClO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3 |
| InChIKey | PINQDVFQCCFACD-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 | 96DEhDuAEWz |
|---|---|
| Name | Methyl 3-chloro-4-methoxybenzoate |
| 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/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3 |
| InChIKey | PINQDVFQCCFACD-UHFFFAOYSA-N |
| Molecular Weight | 200.621 g/mol |
| SMILES | C1(=CC(=CC=C1OC)C(OC)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958061 |