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3-Isopropyl-2-thio-2,4(1H,3H)-quinazolinedione

View entire compound with spectra: 1 FTIR, and 1 Raman

3-Isopropyl-2-thio-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID 6UExG376by5
InChI InChI=1S/C11H12N2OS/c1-7(2)13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-7H,1-2H3,(H,12,15)
InChIKey NMKBNUTUGMKWQF-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C11H12N2OS
Exact Mass 220.067034 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Gb7wqJtv8ro
Name 3-Isopropyl-2-thio-2,4(1H,3H)-quinazolinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.067034187 u
Formula C11H12N2OS
InChI InChI=1S/C11H12N2OS/c1-7(2)13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-7H,1-2H3,(H,12,15)
InChIKey NMKBNUTUGMKWQF-UHFFFAOYSA-N
Molecular Weight 220.290 g/mol
SMILES C1=CC=CC2=C1C(=O)N(C(=S)N2)C(C)C
Spectrum/Structure Validation Score (Raman) 0.873327