SpectraBase Spectrum ID |
80aYkqVGoiY |
Name |
4-(2'-Hydroxyphenyl)-1,2-dihydro-6-(2''-methoxyphenyl)-2-thioxo-1,3,5-triazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.072847843 u |
Formula |
C16H13N3O2S |
InChI |
InChI=1S/C16H13N3O2S/c1-21-13-9-5-3-7-11(13)15-17-14(18-16(22)19-15)10-6-2-4-8-12(10)20/h2-9,20H,1H3,(H,17,18,19,22) |
InChIKey |
VUGUNSFUIQHWHK-UHFFFAOYSA-N |
Molecular Weight |
311.359 g/mol |
SMILES |
C=1(N=C(C=2C(OC)=CC=CC2)NC(N1)=S)C=1C(O)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94914 |