| SpectraBase Compound ID | FW4Nb9bOCHj |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-7(2)5-6-9(10)11-8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | SVIJAVIDKRORLN-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CM1eOlWOvTZ |
|---|---|
| Name | 4-Methylvaleric acid, isopropyl 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)5-6-9(10)11-8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | SVIJAVIDKRORLN-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CC(OC(=O)CCC(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.986946 |