| SpectraBase Spectrum ID |
GRtCaQh3iDT |
| Name |
Benzenepropanal, 4-(1,1-dimethylethoxy)-alpha-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-11(10-15)9-12-5-7-13(8-6-12)16-14(2,3)4/h5-8,10-11H,9H2,1-4H3 |
| InChIKey |
HYEZWJQVJXFUTF-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1=CC(=CC=C1CC(C=O)C)OC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.96819 |
