| SpectraBase Compound ID | 56ln3KP6gEl |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | GOMJXIORCUVQCB-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 | 2zExNY7vKGC |
|---|---|
| Name | Poly(vinyl p-tolyl ketone) |
| 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/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | GOMJXIORCUVQCB-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| Nominal Mass | 176 u |
| SMILES | C(C(C(C=1C=CC(=CC1)C)=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.967391 |