| SpectraBase Spectrum ID |
7G3zW5W04Q9 |
| Name |
2,3,3A,6,7,7A-Hexahydro-3A,4,4-trimethylindene-1,5(4H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-11(2)10(14)5-4-8-9(13)6-7-12(8,11)3/h8H,4-7H2,1-3H3/t8-,12+/m0/s1 |
| InChIKey |
IPYNPYRLMYZWNT-QPUJVOFHSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
[C@]12(C(C(=O)CC[C@]2(C(=O)CC1)[H])(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969212 |
