| SpectraBase Spectrum ID |
Kazr5XPN88b |
| Name |
1,4-Ethanonaphthalene-5,8-dione, 1,4,4A,8A-tetrahydro-1-methyl-4-(1-methylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.146329882 u |
| Formula |
C16H20O2 |
| InChI |
InChI=1S/C16H20O2/c1-10(2)16-8-6-15(3,7-9-16)13-11(17)4-5-12(18)14(13)16/h4-6,8,10,13-14H,7,9H2,1-3H3 |
| InChIKey |
GVHHGGSQTIVBCC-UHFFFAOYSA-N |
| Molecular Weight |
244.334 g/mol |
| SMILES |
C12(C3C(C(=O)C=CC3=O)C(CC1)(C)C=C2)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849324 |
