| SpectraBase Spectrum ID |
FOqWkwXwmpy |
| Name |
1-(4,7A-Dimethyl-1,5,6,7-tetrahydroinden-2-yl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-9-5-4-6-13(3)8-11(10(2)14)7-12(9)13/h7H,4-6,8H2,1-3H3 |
| InChIKey |
JJPLPXDCJYXCQS-UHFFFAOYSA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
C=12C=C(C(=O)C)CC2(CCCC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899516 |
