| SpectraBase Compound ID | Ae1UYDvsWlZ |
|---|---|
| InChI | InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3 |
| InChIKey | GRFNSWBVXHLTCI-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BF1jbZscYJh |
|---|---|
| Name | p-Tert-butoxystyrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3 |
| InChIKey | GRFNSWBVXHLTCI-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C=1C(=CC=C(C1)OC(C)(C)C)C=C |
| Spectrum/Structure Validation Score (Raman) | 0.841083 |