| SpectraBase Compound ID | J4FG74HcwwO |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-5-6(2)7(3)10-8(4)9/h6-7H,5H2,1-4H3 |
| InChIKey | QKIUTHHIJLLGJL-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 30k0vcJdT8N |
|---|---|
| Name | 2-Pentanol, 3-methyl-, 2-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-5-6(2)7(3)10-8(4)9/h6-7H,5H2,1-4H3 |
| InChIKey | QKIUTHHIJLLGJL-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | CCC(C)C(C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958219 |