| SpectraBase Compound ID | LGzMA4gndNo |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-6(8(11)12-5)7(10)9(2,3)4/h6-7,10H,1-5H3 |
| InChIKey | JTDNDDNQCCLINU-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 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 | EL1sudVQGJR |
|---|---|
| Name | 3-Hydroxy-2,4,4-trimethylpentanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-6(8(11)12-5)7(10)9(2,3)4/h6-7,10H,1-5H3 |
| InChIKey | JTDNDDNQCCLINU-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(C)(C(O)C(C)(C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913339 |