| SpectraBase Compound ID | GU3ISw13goi |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-7(2)5-6-8(3)11-9(4)10/h7-8H,5-6H2,1-4H3 |
| InChIKey | UQMBKKPRMAATOW-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 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 | 3eOeHCoPFKG |
|---|---|
| Name | Acetic acid, 5-methylhex-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-7(2)5-6-8(3)11-9(4)10/h7-8H,5-6H2,1-4H3 |
| InChIKey | UQMBKKPRMAATOW-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CC(C)CCC(OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958579 |