| SpectraBase Spectrum ID |
8G1sDqnzyuo |
| Name |
2-Benzyl-4-tert-butyl-5-chloro-2-methylcyclopent-4-ene-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.107357550 u |
| Formula |
C17H19ClO2 |
| InChI |
InChI=1S/C17H19ClO2/c1-16(2,3)12-13(18)15(20)17(4,14(12)19)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3 |
| InChIKey |
NQCCXJXLLTUBFV-UHFFFAOYSA-N |
| Molecular Weight |
290.790 g/mol |
| SMILES |
C1(C(C(C(C)(C)C)=C(C1=O)Cl)=O)(CC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883855 |
