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8,9-Dihydroxy-12H-benzothiazolo[2,3,b]quinazolin-12-one
SpectraBase Compound ID 4DNDmTDcBAB
InChI InChI=1S/C14H8N2O3S/c17-10-5-9-12(6-11(10)18)20-14-15-8-4-2-1-3-7(8)13(19)16(9)14/h1-6,17-18H
InChIKey CFKIJIVGUOIXHJ-UHFFFAOYSA-N
Mol Weight 284.29 g/mol
Molecular Formula C14H8N2O3S
Exact Mass 284.025563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HNLkMWnihIK
Name 8,9-Dihydroxy-12H-benzothiazolo[2,3,B]quinazolin-12-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.025563297 u
Formula C14H8N2O3S
InChI InChI=1S/C14H8N2O3S/c17-10-5-9-12(6-11(10)18)20-14-15-8-4-2-1-3-7(8)13(19)16(9)14/h1-6,17-18H
InChIKey CFKIJIVGUOIXHJ-UHFFFAOYSA-N
Molecular Weight 284.289 g/mol
SMILES C1=2N(C(C3=C(N2)C=CC=C3)=O)C=2C(S1)=CC(=C(C2)O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939017