| SpectraBase Compound ID | 2iXPAvg5V68 |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3 |
| InChIKey | KBKUVMOUCKJDBE-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C7H14O3 |
| Exact Mass | 146.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1CYUz0z0oSF |
|---|---|
| Name | Hexanoic acid, 5-hydroxy-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.094294308 u |
| Formula | C7H14O3 |
| InChI | InChI=1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3 |
| InChIKey | KBKUVMOUCKJDBE-UHFFFAOYSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | OC(C)CCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945013 |