| SpectraBase Compound ID | IKPBhz0dk3s |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7-8,10H,4-6H2,1-3H3 |
| InChIKey | DTNNQDMDLHOWPE-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3SEQadvsQEI |
|---|---|
| Name | Isopentyl 3-hydroxybutanoate |
| 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/c1-7(2)4-5-12-9(11)6-8(3)10/h7-8,10H,4-6H2,1-3H3 |
| InChIKey | DTNNQDMDLHOWPE-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(CC(O)C)(=O)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985683 |