| SpectraBase Spectrum ID |
XWXZ806akj |
| Name |
Trans-3-butyl-2-(4-methoxyphenyl)cyclohexan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.177630011 u |
| Formula |
C17H24O2 |
| InChI |
InChI=1S/C17H24O2/c1-3-4-6-13-7-5-8-16(18)17(13)14-9-11-15(19-2)12-10-14/h9-13,17H,3-8H2,1-2H3/t13-,17-/m1/s1 |
| InChIKey |
BMMZKDFYPCLISU-CXAGYDPISA-N |
| Molecular Weight |
260.377 g/mol |
| SMILES |
C1([C@]([C@@](CCC1)(CCCC)[H])(C=1C=CC(=CC1)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88879 |
