| SpectraBase Spectrum ID |
9dMoeoruBzv |
| Name |
3-(p-Isopropylphenyl)propionaldehyde; 4-isopropylbenzenepropanal; benzenepropanal, 4-(1-methylethyl)-; propionaldehyde, 3-p-cumenyl- |
| 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(2)12-7-5-11(6-8-12)4-3-9-13/h5-10H,3-4H2,1-2H3 |
| InChIKey |
RLEFOSDUWZYGOS-UHFFFAOYSA-N |
| Molecular Weight |
176.259 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(C)C)CCC=O |
| Spectrum/Structure Validation Score (Raman) |
0.989479 |
