| SpectraBase Spectrum ID |
AkEyOu2SoRa |
| Name |
1-[2-(Benzylamino)-1-tosylethyl]-1-cyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.186814969 u |
| Formula |
C22H29NO3S |
| InChI |
InChI=1S/C22H29NO3S/c1-18-10-12-20(13-11-18)27(25,26)21(22(24)14-6-3-7-15-22)17-23-16-19-8-4-2-5-9-19/h2,4-5,8-13,21,23-24H,3,6-7,14-17H2,1H3 |
| InChIKey |
LZVZPTBAFITJAK-UHFFFAOYSA-N |
| Molecular Weight |
387.538 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)(C1(O)CCCCC1)CNCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816183 |
![1-[2-(Benzylamino)-1-tosylethyl]-1-cyclohexanol](/api/spectrum/AkEyOu2SoRa/structure.png?h=300&w=458 "1-[2-(Benzylamino)-1-tosylethyl]-1-cyclohexanol")
