| SpectraBase Compound ID | J9gFqmxBKlv |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | XRQYXWMCLWBXBC-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 811tzB7Hzv8 |
|---|---|
| Name | 3-Methyl-2-butenoic acid, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | XRQYXWMCLWBXBC-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C(COC(=O)C=C(C)C)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957766 |