| SpectraBase Compound ID | 1b8NxOEuDgT |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9-6-7-11(10(2)8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | UKUFUTCEBAUOMN-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | yYYinWFPcc |
|---|---|
| Name | 4-(2,4-Xylyl)butyric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9-6-7-11(10(2)8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | UKUFUTCEBAUOMN-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | OC(CCCC1=C(C=C(C=C1)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.980357 |