| SpectraBase Compound ID | BZNBbI8DrCg |
|---|---|
| InChI | InChI=1S/C16H32O2/c1-4-7-8-9-10-11-14-18-16(17)15(12-5-2)13-6-3/h15H,4-14H2,1-3H3 |
| InChIKey | YGYWBVPRRUHQOL-UHFFFAOYSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C16H32O2 |
| Exact Mass | 256.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ih0G0UbFuk |
|---|---|
| Name | Valproic acid, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.240230268 u |
| Formula | C16H32O2 |
| InChI | InChI=1S/C16H32O2/c1-4-7-8-9-10-11-14-18-16(17)15(12-5-2)13-6-3/h15H,4-14H2,1-3H3 |
| InChIKey | YGYWBVPRRUHQOL-UHFFFAOYSA-N |
| Molecular Weight | 256.430 g/mol |
| SMILES | C(=O)(OCCCCCCCC)C(CCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981407 |