| SpectraBase Compound ID | 2Pb4Zmb86lp |
|---|---|
| InChI | InChI=1S/C9H15ClO2/c1-4-5-6-7(2)8(10)9(11)12-3/h4-6H2,1-3H3/b8-7- |
| InChIKey | NDTWVJPMSMUKRI-FPLPWBNLSA-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 | Ax7AfSva23O |
|---|---|
| Name | Methyl 3-methyl-2-chlorohept-2-enoate |
| 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/c1-4-5-6-7(2)8(10)9(11)12-3/h4-6H2,1-3H3/b8-7- |
| InChIKey | NDTWVJPMSMUKRI-FPLPWBNLSA-N |
| Molecular Weight | 190.670 g/mol |
| SMILES | C(\C(=C\(CCCC)C)Cl)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970343 |