| SpectraBase Compound ID | HHxKNR1UOF0 |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-5-7-9(4)12-10(11)8(3)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | RLWCFLMRRZXREL-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 | KVjS7Kz3NMx |
|---|---|
| Name | Pentan-2-yl 2-methylbutanoate |
| 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/c1-5-7-9(4)12-10(11)8(3)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | RLWCFLMRRZXREL-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | C(OC(CCC)C)(C(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992372 |