| SpectraBase Compound ID | 73HoPapYLHf |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | LIQWHXBLFOERRD-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ie7m13nhaoI |
|---|---|
| Name | p-Tert-butylbenzoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | LIQWHXBLFOERRD-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C=1C(=CC=C(C1)C(C)(C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.949008 |