| SpectraBase Spectrum ID |
BP2wggW2QeV |
| Name |
3H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-one, 1,2,3A,3B,6,7-hexahydro-3A,6,6-trimethyl- |
| 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/c1-11(2)6-4-9-12(3)10(14)5-7-13(9,12)8-11/h4,6,9H,5,7-8H2,1-3H3 |
| InChIKey |
NYXJYKDXWOBNQR-UHFFFAOYSA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
C123C(C(=O)CC3)(C)C1C=CC(C2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955966 |
![3H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-one, 1,2,3a,3b,6,7-hexahydro-3a,6,6-trimethyl-](/api/spectrum/BP2wggW2QeV/structure.png?h=300&w=458 "3H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-one, 1,2,3a,3b,6,7-hexahydro-3a,6,6-trimethyl-")
