| SpectraBase Compound ID | 7EHq1ebAVYu |
|---|---|
| InChI | InChI=1S/C9H15ClO2/c1-6(12-5)7(10)8(11)9(2,3)4/h1-5H3/b7-6- |
| InChIKey | PJDAAMVGZZNIQL-SREVYHEPSA-N |
| Mol Weight | 190.67 g/mol |
| Molecular Formula | C9H15ClO2 |
| Exact Mass | 190.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LSnts1vEg9k |
|---|---|
| Name | 4-Hexen-3-one, 4-chloro-5-methoxy-2,2-dimethyl-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.076057421 u |
| Formula | C9H15ClO2 |
| InChI | InChI=1S/C9H15ClO2/c1-6(12-5)7(10)8(11)9(2,3)4/h1-5H3/b7-6- |
| InChIKey | PJDAAMVGZZNIQL-SREVYHEPSA-N |
| Molecular Weight | 190.670 g/mol |
| SMILES | C(\C(=C/(OC)C)Cl)(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831855 |