| SpectraBase Spectrum ID |
G1Nc0IBMeKf |
| Name |
1-[(1S,2S,8ar)-1,2,8,8-Tetramethyl-1,3,5,6,7,8A-hexahydronaphthalen-2-yl]ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.198365456 u |
| Formula |
C16H26O |
| InChI |
InChI=1S/C16H26O/c1-11-14-13(7-6-9-15(14,3)4)8-10-16(11,5)12(2)17/h8,11,14H,6-7,9-10H2,1-5H3/t11-,14-,16-/m0/s1 |
| InChIKey |
PXNPTKUSFGIGNF-PJODQICGSA-N |
| Molecular Weight |
234.383 g/mol |
| SMILES |
[C@@]1([C@]([C@@]2(C(CCCC2=CC1)(C)C)[H])(C)[H])(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860481 |
![1-[(1S,2S,8aR)-1,2,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-yl]ethanone](/api/spectrum/G1Nc0IBMeKf/structure.png?h=300&w=458 "1-[(1S,2S,8aR)-1,2,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-yl]ethanone")
