| SpectraBase Compound ID | EfHJgI4ew4r |
|---|---|
| InChI | InChI=1S/C15H30O3/c1-3-4-5-6-7-8-11-14(16)12-9-10-13-15(17)18-2/h14,16H,3-13H2,1-2H3 |
| InChIKey | PUJOUHAHXVNVRI-UHFFFAOYSA-N |
| Mol Weight | 258.4 g/mol |
| Molecular Formula | C15H30O3 |
| Exact Mass | 258.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhkzmvrFK0T |
|---|---|
| Name | Butolic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.219494823 u |
| Formula | C15H30O3 |
| InChI | InChI=1S/C15H30O3/c1-3-4-5-6-7-8-11-14(16)12-9-10-13-15(17)18-2/h14,16H,3-13H2,1-2H3 |
| InChIKey | PUJOUHAHXVNVRI-UHFFFAOYSA-N |
| Molecular Weight | 258.402 g/mol |
| SMILES | C(CCCCC(CCCCCCCC)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936385 |