| SpectraBase Compound ID | D82X0CAJK10 |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-6-8(9(11)12-5)10(3,4)7-2/h8H,6-7H2,1-5H3 |
| InChIKey | FRQTXBSAJIUYJF-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5xR9mzFKfdp |
|---|---|
| Name | Pentanoic acid, 2-ethyl-3,3-dimethyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-6-8(9(11)12-5)10(3,4)7-2/h8H,6-7H2,1-5H3 |
| InChIKey | FRQTXBSAJIUYJF-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | C(C(C(CC)(C)C)CC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980857 |