| SpectraBase Spectrum ID |
AG3uXR0VN4U |
| Name |
Trans-1-[N-methyl-N-(4-methoxyphenyl)]amino-2-(phenylthio)cyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.165685602 u |
| Formula |
C20H25NOS |
| InChI |
InChI=1S/C20H25NOS/c1-21(16-12-14-17(22-2)15-13-16)19-10-6-7-11-20(19)23-18-8-4-3-5-9-18/h3-5,8-9,12-15,19-20H,6-7,10-11H2,1-2H3/t19-,20-/m1/s1 |
| InChIKey |
POFKBGDSHHXUGH-WOJBJXKFSA-N |
| Molecular Weight |
327.486 g/mol |
| SMILES |
[C@@]1(N(C=2C=CC(=CC2)OC)C)([C@](SC2=CC=CC=C2)(CCCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821404 |
![Trans-1-[N-methyl-N-(4-methoxyphenyl)]amino-2-(phenylthio)cyclohexane](/api/spectrum/AG3uXR0VN4U/structure.png?h=300&w=458 "Trans-1-[N-methyl-N-(4-methoxyphenyl)]amino-2-(phenylthio)cyclohexane")
