| SpectraBase Compound ID | DzgSiLYNprj |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3 |
| InChIKey | UBNAVIPKORDBNB-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FQGC9etEdhp |
|---|---|
| Name | 2-Butanone, 3,3-dimethyl-4-phenyl- |
| 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/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3 |
| InChIKey | UBNAVIPKORDBNB-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1=C(C=CC=C1)CC(C(C)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.989069 |