| SpectraBase Compound ID | 9U0QWH5iyYO |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-11-10(2)9-12(13)14-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | OGRZZHTVLPTHNR-UHFFFAOYSA-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 | B6sisQNZs2F |
|---|---|
| Name | 5-Heptyl-4-methyl-2-oxolanone |
| 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/c1-3-4-5-6-7-8-11-10(2)9-12(13)14-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | OGRZZHTVLPTHNR-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1(OC(C(C1)C)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903345 |