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4-(p-Methoxyphenyl)benzoxazolo[3,2-a]triazine-2-thione
SpectraBase Compound ID 4FUkJfddGyq
InChI InChI=1S/C16H11N3O2S/c1-20-11-8-6-10(7-9-11)14-17-15(22)18-16-19(14)12-4-2-3-5-13(12)21-16/h2-9H,1H3
InChIKey NHNKYZNHAVYJNM-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C16H11N3O2S
Exact Mass 309.057198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DtDpOoviP6A
Name 4-(p-Methoxyphenyl)benzoxazolo[3,2-A]triazine-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.057197778 u
Formula C16H11N3O2S
InChI InChI=1S/C16H11N3O2S/c1-20-11-8-6-10(7-9-11)14-17-15(22)18-16-19(14)12-4-2-3-5-13(12)21-16/h2-9H,1H3
InChIKey NHNKYZNHAVYJNM-UHFFFAOYSA-N
Molecular Weight 309.343 g/mol
SMILES C1=2N(C(=NC(N2)=S)C=2C=CC(=CC2)OC)C=2C(O1)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926851