| SpectraBase Spectrum ID |
9obrWYbD9vJ |
| Name |
N-Phenyl-4-[2-((E)-prop-2-en-1-yl)-1,3-dithian-2-yl]-butyramide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.122106712 u |
| Formula |
C17H23NOS2 |
| InChI |
InChI=1S/C17H23NOS2/c1-2-11-17(20-13-7-14-21-17)12-6-10-16(19)18-15-8-4-3-5-9-15/h2-5,8-9H,1,6-7,10-14H2,(H,18,19) |
| InChIKey |
PTMXDICBVVALJL-UHFFFAOYSA-N |
| Molecular Weight |
321.497 g/mol |
| SMILES |
C(CCCC1(SCCCS1)CC=C)(=O)NC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957338 |
![N-Phenyl-4-[2-((E)-prop-2-en-1-yl)-1,3-dithian-2-yl]-butyramide](/api/spectrum/9obrWYbD9vJ/structure.png?h=300&w=458 "N-Phenyl-4-[2-((E)-prop-2-en-1-yl)-1,3-dithian-2-yl]-butyramide")
