| SpectraBase Compound ID | 51ke8Tajgha |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-14-12(13)11(3)4/h6,8,10-11H,5,7,9H2,1-4H3/b8-6+ |
| InChIKey | JDRFSFLYVBOTAT-SOFGYWHQSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | nho0KKyMsD |
|---|---|
| Name | 6-Methylhept-4-en-1-yl isobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-14-12(13)11(3)4/h6,8,10-11H,5,7,9H2,1-4H3/b8-6+ |
| InChIKey | JDRFSFLYVBOTAT-SOFGYWHQSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(C(C)C)(=O)OCCC\C=C\C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890402 |