| SpectraBase Spectrum ID |
AmLdnDsQno0 |
| Name |
3-Methyl-2-[4'-(4""""-METHYLPHENYL0-4'-oxobutyl]cyclopent-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.146329882 u |
| Formula |
C17H20O2 |
| InChI |
InChI=1S/C17H20O2/c1-12-6-9-14(10-7-12)16(18)5-3-4-15-13(2)8-11-17(15)19/h6-7,9-10H,3-5,8,11H2,1-2H3 |
| InChIKey |
SVERALIYBPSADI-UHFFFAOYSA-N |
| Molecular Weight |
256.345 g/mol |
| SMILES |
C1(=C(CCC1=O)C)CCCC(C1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984068 |
![3-Methyl-2-[4'-(4""-METHYLPHENYL0-4'-oxobutyl]cyclopent-2-en-1-one](/api/spectrum/AmLdnDsQno0/structure.png?h=300&w=458 "3-Methyl-2-[4'-(4\"\"-METHYLPHENYL0-4'-oxobutyl]cyclopent-2-en-1-one")
