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6-(3-Nitrobenzyl)-5H-thiazolo[3,2-a]pyrimidin-5-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

6-(3-Nitrobenzyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID 34zfG92DYub
InChI InChI=1S/C13H9N3O3S/c17-12-10(8-14-13-15(12)4-5-20-13)6-9-2-1-3-11(7-9)16(18)19/h1-5,7-8H,6H2
InChIKey HAUHZWPJVZLMLW-UHFFFAOYSA-N
Mol Weight 287.29 g/mol
Molecular Formula C13H9N3O3S
Exact Mass 287.036462 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BE4miPl2jye
Name 6-(3-Nitrobenzyl)-5H-thiazolo[3,2-A]pyrimidin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.036462333 u
Formula C13H9N3O3S
InChI InChI=1S/C13H9N3O3S/c17-12-10(8-14-13-15(12)4-5-20-13)6-9-2-1-3-11(7-9)16(18)19/h1-5,7-8H,6H2
InChIKey HAUHZWPJVZLMLW-UHFFFAOYSA-N
SMILES C1(N2C(=NC=C1CC=1C=C(N(=O)=O)C=CC1)SC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926305