| SpectraBase Spectrum ID |
1L07Btb5Oxs |
| Name |
3-[4'-Isopropyl-2'-methylphenyl]-2-methylpropanal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.151415263 u |
| Formula |
C14H20O |
| InChI |
InChI=1S/C14H20O/c1-10(2)13-5-6-14(12(4)8-13)7-11(3)9-15/h5-6,8-11H,7H2,1-4H3 |
| InChIKey |
RAJPESAKYXTJMW-UHFFFAOYSA-N |
| Molecular Weight |
204.313 g/mol |
| SMILES |
C=1(C(=CC(=CC1)C(C)C)C)CC(C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957114 |
![3-[4'-Isopropyl-2'-methylphenyl]-2-methylpropanal](/api/spectrum/1L07Btb5Oxs/structure.png?h=300&w=458 "3-[4'-Isopropyl-2'-methylphenyl]-2-methylpropanal")
