| SpectraBase Compound ID | L5ecSfCP3YL |
|---|---|
| InChI | InChI=1S/C9H15ClO2/c1-4-5-6-8(10)9(11)12-7(2)3/h6-7H,4-5H2,1-3H3/b8-6- |
| InChIKey | PMVSAVDYEWCYIF-VURMDHGXSA-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 | 6v4wD5vOzwS |
|---|---|
| Name | (Z)-Isopropyl 2-chloro-2-hexenoate |
| 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/c1-4-5-6-8(10)9(11)12-7(2)3/h6-7H,4-5H2,1-3H3/b8-6- |
| InChIKey | PMVSAVDYEWCYIF-VURMDHGXSA-N |
| Molecular Weight | 190.670 g/mol |
| SMILES | C(\C(=C\CCC)Cl)(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968386 |