| SpectraBase Spectrum ID |
CLFvtNwHPY5 |
| Name |
8-Isopropyl-7-methoxy-1,1-dimethyl-1,2,3,5,10,11-hexahydro-4H-dibenzo[A,D]cyclohepten-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-13(2)16-10-14-6-7-18-17(11-15(14)12-20(16)23-5)19(22)8-9-21(18,3)4/h10,12-13H,6-9,11H2,1-5H3 |
| InChIKey |
LEENVVDGXFQOOV-UHFFFAOYSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C12=C(C(C)(C)CCC2=O)CCC=2C=C(C(=CC2C1)OC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929484 |
![8-isopropyl-7-methoxy-1,1-dimethyl-1,2,3,5,10,11-hexahydro-4H-dibenzo[a,d]cyclohepten-4-one](/api/spectrum/CLFvtNwHPY5/structure.png?h=300&w=458 "8-isopropyl-7-methoxy-1,1-dimethyl-1,2,3,5,10,11-hexahydro-4H-dibenzo[a,d]cyclohepten-4-one")
