| SpectraBase Spectrum ID |
AJbDcRJk8Ti |
| Name |
(1S,2S,4R,4as,8ar)-4,7-Dimethyl-6-oxo-1-(propan-2-yl)-1,2,3,4,4A,5,6,8A-octahydronaphthalen-2-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-9(2)17-14-6-11(4)15(19)8-13(14)10(3)7-16(17)20-12(5)18/h6,9-10,13-14,16-17H,7-8H2,1-5H3/t10-,13+,14+,16+,17+/m1/s1 |
| InChIKey |
VFCOFTPRUWCANC-NKJUWPKISA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
C1(C(=C[C@@]2([C@@]([C@](C[C@]([C@@]2(C1)[H])(C)[H])(OC(C)=O)[H])(C(C)C)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954328 |
