| SpectraBase Spectrum ID |
4CFC5enucmk |
| Name |
(4as,7R,8ar)-4A,8A-Dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m1/s1 |
| InChIKey |
HDVXJTYHXDVWQO-SNPRPXQTSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
[C@@]12(C[C@](C(C)C)(CC[C@@]2(CCCC1=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948592 |
