| SpectraBase Compound ID | 7Sq99rLVrYl |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-12(13)14-4/h10-11H,5-9H2,1-4H3 |
| InChIKey | WEIBMHOLQRGQPU-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Rj7Wt3nYwr |
|---|---|
| Name | Methyl 4,8-dimethylnonanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-12(13)14-4/h10-11H,5-9H2,1-4H3 |
| InChIKey | WEIBMHOLQRGQPU-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | COC(=O)CCC(CCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975889 |