| SpectraBase Spectrum ID |
2ieRzUbTTS3 |
| Name |
2-Propenethioamide, N,N-diethyl-3-phenyl-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.108170725 u |
| Formula |
C13H17NS |
| InChI |
InChI=1S/C13H17NS/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+ |
| InChIKey |
WURNLGLPDQUHER-ZHACJKMWSA-N |
| Molecular Weight |
219.346 g/mol |
| SMILES |
C(\C=C\C=1C=CC=CC1)(=S)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952086 |
