| SpectraBase Spectrum ID |
Hpn2yvyjNnc |
| Name |
(3S)-N,N-Dimethyl-3-phenyl-4-pentenethioamide |
| 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/c1-4-11(10-13(15)14(2)3)12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3/t11-/m1/s1 |
| InChIKey |
DIZJNRJEFMJZPU-LLVKDONJSA-N |
| Molecular Weight |
219.346 g/mol |
| SMILES |
C(C[C@@](C=C)(C=1C=CC=CC1)[H])(N(C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940645 |
