| SpectraBase Compound ID | 5fJ6d2yuxo1 |
|---|---|
| InChI | InChI=1S/C6H9Cl2NO/c1-6(2)3-10-5(9-6)4(7)8/h4H,3H2,1-2H3 |
| InChIKey | BFIXPBPWSAJKDH-UHFFFAOYSA-N |
| Mol Weight | 182.05 g/mol |
| Molecular Formula | C6H9Cl2NO |
| Exact Mass | 181.006119 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BBh7U6qqalB |
|---|---|
| Name | Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.006119313 u |
| Formula | C6H9Cl2NO |
| InChI | InChI=1S/C6H9Cl2NO/c1-6(2)3-10-5(9-6)4(7)8/h4H,3H2,1-2H3 |
| InChIKey | BFIXPBPWSAJKDH-UHFFFAOYSA-N |
| Molecular Weight | 182.050 g/mol |
| SMILES | C1(COC(=N1)C(Cl)Cl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954055 |