| SpectraBase Compound ID | CpefYjywNjR |
|---|---|
| InChI | InChI=1S/C6H7ClO3/c1-4(6(7)9)3-5(8)10-2/h1,3H2,2H3 |
| InChIKey | QCAIGJYTWVYENM-UHFFFAOYSA-N |
| Mol Weight | 162.57 g/mol |
| Molecular Formula | C6H7ClO3 |
| Exact Mass | 162.008372 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AVPPmWQTjmX |
|---|---|
| Name | Methyl 3-(chlorocarbonyl)-but-3-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.008371782 u |
| Formula | C6H7ClO3 |
| InChI | InChI=1S/C6H7ClO3/c1-4(6(7)9)3-5(8)10-2/h1,3H2,2H3 |
| InChIKey | QCAIGJYTWVYENM-UHFFFAOYSA-N |
| Molecular Weight | 162.572 g/mol |
| SMILES | C(C(=O)Cl)(CC(=O)OC)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988734 |