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3a-Methyl-5-phenyl[1,3]thiazolo[5,4-c]quinoline-2,4(3aH,5H)-dione
SpectraBase Compound ID BN0aHd5qK0k
InChI InChI=1S/C17H12N2O2S/c1-17-14(18-16(21)22-17)12-9-5-6-10-13(12)19(15(17)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey PWMLHUIXHZXYBC-UHFFFAOYSA-N
Mol Weight 308.36 g/mol
Molecular Formula C17H12N2O2S
Exact Mass 308.061949 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Js879LLPS0
Name 3A-Methyl-5-phenyl[1,3]thiazolo[5,4-C]quinoline-2,4(3ah,5H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.061948806 u
Formula C17H12N2O2S
InChI InChI=1S/C17H12N2O2S/c1-17-14(18-16(21)22-17)12-9-5-6-10-13(12)19(15(17)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey PWMLHUIXHZXYBC-UHFFFAOYSA-N
Molecular Weight 308.355 g/mol
SMILES C1(N(C=2C=CC=CC2C=2C1(SC(N2)=O)C)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941566