| SpectraBase Spectrum ID |
HggOBDErfU4 |
| Name |
5-Methyl-4-(2-oxopropyl)-2H,3H-cyclopenta[A]naphthalen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-10(18)9-15-11(2)12-5-3-4-6-13(12)17-14(15)7-8-16(17)19/h3-6H,7-9H2,1-2H3 |
| InChIKey |
JJHSFFWULJBZQN-UHFFFAOYSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C1(=C2C(=C3C(=C1C)C=CC=C3)C(=O)CC2)CC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972568 |
![5-Methyl-4-(2-oxopropyl)-2H,3H-cyclopenta[A]naphthalen-1-one](/api/spectrum/HggOBDErfU4/structure.png?h=300&w=458 "5-Methyl-4-(2-oxopropyl)-2H,3H-cyclopenta[A]naphthalen-1-one")
