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4-(2'-Hydroxyphenyl)-1,2-dihydro-6-(2"-methoxyphenyl)-2-thioxo-1,3,5-triazine
SpectraBase Compound ID L3jXSGK77Mb
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
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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