| SpectraBase Spectrum ID |
HjSyU3ss3e |
| Name |
Phenylthioacetamide, N,N-bis(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.290886117 u |
| Formula |
C24H41NOS |
| InChI |
InChI=1S/C24H41NOS/c1-5-9-14-21(7-3)18-25(19-22(8-4)15-10-6-2)24(26)20-27-23-16-12-11-13-17-23/h11-13,16-17,21-22H,5-10,14-15,18-20H2,1-4H3 |
| InChIKey |
JBRCYLDDYZEOFI-UHFFFAOYSA-N |
| Molecular Weight |
391.658 g/mol |
| SMILES |
C1=CC=CC(=C1)SCC(N(CC(CCCC)CC)CC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874965 |
