| SpectraBase Compound ID | 3GFq1341dZf |
|---|---|
| InChI | InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3 |
| InChIKey | PDLCCNYKIIUWHA-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9r0JRk7C4tC |
|---|---|
| Name | 4'-Isopropylacetophenone; ethanone, 1-[4-(1-methylethyl)phenyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3 |
| InChIKey | PDLCCNYKIIUWHA-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C)C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.97395 |