| SpectraBase Compound ID | JxBHokrnUjL |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-4-7-10-14-12(13)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3 |
| InChIKey | OPSGLOCTOBKQLG-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96wykZejbHS |
|---|---|
| Name | Valproic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-4-7-10-14-12(13)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3 |
| InChIKey | OPSGLOCTOBKQLG-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(=O)(OCCCC)C(CCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828324 |