| SpectraBase Compound ID | H1eOUgsUcUe |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h5-7,13H,3-4H2,1-2H3 |
| InChIKey | ATFSJFVUBBVFDB-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1TRhJlzKIid |
|---|---|
| Name | Butyrovanillone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h5-7,13H,3-4H2,1-2H3 |
| InChIKey | ATFSJFVUBBVFDB-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(CCC)(=O)C1=CC(=C(C=C1)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950718 |