SpectraBase Spectrum ID |
2Nl5VhRrNqM |
Name |
[2-(Diisopropylamino)ethyl]-(2-mercaptoethyl) sulfide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
221.127192093 u |
Formula |
C10H23NS2 |
InChI |
InChI=1S/C10H23NS2/c1-9(2)11(10(3)4)5-7-13-8-6-12/h9-10,12H,5-8H2,1-4H3 |
InChIKey |
BVWKCXBNLROVOD-UHFFFAOYSA-N |
Molecular Weight |
221.421 g/mol |
SMILES |
C(CSCCN(C(C)C)C(C)C)S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963581 |