| SpectraBase Spectrum ID |
8oSD1mH12uq |
| Name |
1-Dodecylsulfanylpropyl trans-4-phenylcyclohexyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.326937274 u |
| Formula |
C27H46OS |
| InChI |
InChI=1S/C27H46OS/c1-3-5-6-7-8-9-10-11-12-16-23-29-27(4-2)28-26-21-19-25(20-22-26)24-17-14-13-15-18-24/h13-15,17-18,25-27H,3-12,16,19-23H2,1-2H3/t25-,26-,27? |
| InChIKey |
COSRXQRSUCRDKQ-KKFOSYPRSA-N |
| Molecular Weight |
418.724 g/mol |
| SMILES |
C1[C@](CC[C@](OC(SCCCCCCCCCCCC)CC)(C1)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932729 |
