| SpectraBase Spectrum ID |
4i0c9IZQmky |
| Name |
2,2-bis(Phenylthio)ethyl-diisopropyl-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.158492221 u |
| Formula |
C20H27NS2 |
| InChI |
InChI=1S/C20H27NS2/c1-16(2)21(17(3)4)15-20(22-18-11-7-5-8-12-18)23-19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3 |
| InChIKey |
AZNWGTOXUZRYBN-UHFFFAOYSA-N |
| Molecular Weight |
345.563 g/mol |
| SMILES |
C(N(C(C)C)C(C)C)C(SC1=CC=CC=C1)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820904 |
