SpectraBase Spectrum ID |
9FnprSioMAB |
Name |
2,3-Dihydro-5,6-di-[p-methoxyphenyl]-3-thio-1,2,4-triazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.088497907 u |
Formula |
C17H15N3O2S |
InChI |
InChI=1S/C17H15N3O2S/c1-21-13-7-3-11(4-8-13)15-16(19-20-17(23)18-15)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3,(H,18,20,23) |
InChIKey |
TZLNWWQWTXKCSO-UHFFFAOYSA-N |
Molecular Weight |
325.386 g/mol |
SMILES |
C1(NN=C(C(=N1)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933967 |