| SpectraBase Compound ID | 5FcB99CUQh7 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3 |
| InChIKey | BGKAKRUFBSTALK-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ApfYH5pdfLs |
|---|---|
| Name | Vanillin isobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3 |
| InChIKey | BGKAKRUFBSTALK-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(OC1=C(C=C(C=C1)C=O)OC)(=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.971736 |