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2-(Butylsulfanyl)-4(1H)-quinazolinone, N-methyl

View entire compound with spectra: 1 FTIR

2-(Butylsulfanyl)-4(1H)-quinazolinone, N-methyl
SpectraBase Compound ID AjRgC2VQfyS
InChI InChI=1S/C13H16N2OS/c1-3-4-9-17-13-14-12(16)10-7-5-6-8-11(10)15(13)2/h5-8H,3-4,9H2,1-2H3
InChIKey SDVHVXYBIFXEQU-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 24y2h6n8dxP
Name 2-(Butylsulfanyl)-4(1H)-quinazolinone, N-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.098334316 u
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-3-4-9-17-13-14-12(16)10-7-5-6-8-11(10)15(13)2/h5-8H,3-4,9H2,1-2H3
InChIKey SDVHVXYBIFXEQU-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES C=1(N(C2=C(C(N1)=O)C=CC=C2)C)SCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959649