| SpectraBase Compound ID | 7Eboa9otFXD |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3H,2H2,1H3 |
| InChIKey | LSGIBMQRILGOKO-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5UjKVidmCj0 |
|---|---|
| Name | 4-Chloranyl-3-(1-chloranylethenyl)-6-methyl-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.974484831 u |
| Formula | C8H6Cl2O2 |
| InChI | InChI=1S/C8H6Cl2O2/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3H,2H2,1H3 |
| InChIKey | LSGIBMQRILGOKO-UHFFFAOYSA-N |
| Molecular Weight | 205.040 g/mol |
| SMILES | C=1(C(OC(=CC1Cl)C)=O)C(=C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831693 |