| SpectraBase Spectrum ID |
L1jHl8ZQkgX |
| Name |
(+/-)-cis/trans-3,4,4A,7,8,8A-hexahydro-4A,6-dimethylnaphthalen-1-(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-9-5-6-10-11(13)4-3-7-12(10,2)8-9/h8,10H,3-7H2,1-2H3/t10?,12-/m0/s1 |
| InChIKey |
FPCVOYFRQWQVBC-KFJBMODSSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C1(=O)CCC[C@]2(C=C(CCC12)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974679 |
