| SpectraBase Spectrum ID |
1Spq2brjRU5 |
| Name |
Methyl (2'sr,4A'sr,8'rs,8A'rs)-2-(2'-methyl-1'-oxo-1',2',3',4',4A',5',8',8A'-octahydronaphthalen-8'-yl)acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-9-6-7-10-4-3-5-11(8-12(15)17-2)13(10)14(9)16/h3,5,9-11,13H,4,6-8H2,1-2H3/t9-,10+,11-,13+/m0/s1 |
| InChIKey |
ODHAPMSVQCUVNL-SRRSOLGSSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C1([C@]2([C@](CC(=O)OC)(C=CC[C@]2([H])CC[C@@]1(C)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958739 |
