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 |