| SpectraBase Compound ID | 4Ef83FFqrTV |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-7(2)6-10(13)11(8(3)4)9(5)12/h6,8,11H,1-5H3 |
| InChIKey | ZCRGKSKEHHFLRV-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CKA7N3BXpwh |
|---|---|
| Name | 3-Isopropyl-6-methyl-5-heptene-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-7(2)6-10(13)11(8(3)4)9(5)12/h6,8,11H,1-5H3 |
| InChIKey | ZCRGKSKEHHFLRV-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(C=C(C)C)(C(C(=O)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83721 |