| SpectraBase Spectrum ID |
6RP94zs6J5B |
| Name |
11,12,13-tri-nor-Eremophil-1(10)-en-7-one;(8R,8as)-8,8A-dimethyl-3,4,6,7,8,8A-hexahydro-1H-naphthalen-2-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/c1-9-4-3-5-10-6-7-11(13)8-12(9,10)2/h5,9H,3-4,6-8H2,1-2H3/t9-,12+/m1/s1 |
| InChIKey |
RKKGFWOMSDLRQL-SKDRFNHKSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C1(=O)C[C@]2([C@@](CCC=C2CC1)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977496 |
