| SpectraBase Compound ID | FMs76ppRSBi |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | FSALNWWFUMHOAU-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1xC3A1AFPwu |
|---|---|
| Name | p-Tert-butylpenol, acetate |
| 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(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | FSALNWWFUMHOAU-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C=1C(=CC=C(C1)C(C)(C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98622 |