| SpectraBase Spectrum ID |
7u1VhUXjut8 |
| Name |
5.beta.-Acetoxy-1,4A.beta.-dimethyl-1.beta.-hydroxy-3,4,4A,5,6,7-hexahydronaphthalen-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-9(15)18-12-6-4-5-10-13(12,2)8-7-11(16)14(10,3)17/h5,12,17H,4,6-8H2,1-3H3/t12-,13+,14?/m0/s1 |
| InChIKey |
UXJMWYVGERKERH-WLDKUNSKSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C1=2[C@]([C@@](OC(=O)C)(CCC2)[H])(CCC(C1(O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92077 |
