| SpectraBase Compound ID | 5Okp2Nn5eOM |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | PYXQBGGQMBEYLO-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 | 7yogHA9dGIm |
|---|---|
| Name | 2-Ethyl-2-phenylbutyric 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/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | PYXQBGGQMBEYLO-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(=O)O)(C=1C=CC=CC1)(CC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.985842 |