SpectraBase Spectrum ID |
C8wYR8fk0Ao |
Name |
2H-1,3-Thiazine-2-thione, 4-phenyl-6-(1-pyrrolidinyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.059840807 u |
Formula |
C14H14N2S2 |
InChI |
InChI=1S/C14H14N2S2/c17-14-15-12(11-6-2-1-3-7-11)10-13(18-14)16-8-4-5-9-16/h1-3,6-7,10H,4-5,8-9H2 |
InChIKey |
LREGSIPWDXFSPI-UHFFFAOYSA-N |
SMILES |
C=1(SC(=S)N=C(C1)C=1C=CC=CC1)N1CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898471 |