| SpectraBase Compound ID | cSNsL6hj7O |
|---|---|
| InChI | InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChIKey | WHKUVVPPKQRRBV-UHFFFAOYSA-N |
| Mol Weight | 200.62 g/mol |
| Molecular Formula | C9H9ClO3 |
| Exact Mass | 200.024022 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BWO6mgIecV2 |
|---|---|
| Name | Mcpa |
| 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/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChIKey | WHKUVVPPKQRRBV-UHFFFAOYSA-N |
| Molecular Weight | 200.621 g/mol |
| SMILES | OC(COC1=C(C=C(C=C1)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.971343 |