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N-(2-Thiono-4-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-(4-methylphenoxy)-acetamide
SpectraBase Compound ID CsJZHpWphlh
InChI InChI=1S/C17H15N3O3S/c1-11-6-8-12(9-7-11)23-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18-17(20)24/h2-9H,10H2,1H3,(H,18,24)(H,19,21)
InChIKey JPCIWFPTMJYRAE-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8E6RVx05ZeO
Name N-(2-Thiono-4-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-(4-methylphenoxy)-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.083412526 u
Formula C17H15N3O3S
InChI InChI=1S/C17H15N3O3S/c1-11-6-8-12(9-7-11)23-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18-17(20)24/h2-9H,10H2,1H3,(H,18,24)(H,19,21)
InChIKey JPCIWFPTMJYRAE-UHFFFAOYSA-N
Molecular Weight 341.385 g/mol
SMILES C1(N(C(C=2C(N1)=CC=CC2)=O)NC(=O)COC1=CC=C(C)C=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819294