| SpectraBase Spectrum ID |
1XBgpVpBGh3 |
| Name |
1,3-Cyclohexanedione, 2-methyl-2-(4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-10-6-8-11(9-7-10)14(2)12(15)4-3-5-13(14)16/h6-9H,3-5H2,1-2H3 |
| InChIKey |
LXJWFLDACPRGMK-UHFFFAOYSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C1(C(=O)CCCC1=O)(C=1C=CC(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929058 |
