| SpectraBase Spectrum ID |
6KNcs9SC3AR |
| Name |
1-Phenyl-4-(1,2,2-trimethyl-cyclopentyl)-but-2-ene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-17(2)12-7-13-18(17,3)16(20)11-10-15(19)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13H2,1-3H3/b11-10+ |
| InChIKey |
QONLJGVEYAKECI-ZHACJKMWSA-N |
| Molecular Weight |
270.372 g/mol |
| SMILES |
CC1(C)C(C(=O)\C=C\C(C2=CC=CC=C2)=O)(CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962519 |
