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5-(3-Methoxysalicylidene)-2-thiobarbituric acid

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

5-(3-Methoxysalicylidene)-2-thiobarbituric acid
SpectraBase Compound ID 7nt5OX3IqAe
InChI InChI=1S/C12H10N2O4S/c1-18-8-4-2-3-6(9(8)15)5-7-10(16)13-12(19)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,19)
InChIKey LVXHHFQWRVNTRZ-UHFFFAOYSA-N
Mol Weight 278.28 g/mol
Molecular Formula C12H10N2O4S
Exact Mass 278.036128 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CQkrpnoOM5D
Name 5-(3-Methoxysalicylidene)-2-thiobarbituric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.036127980 u
Formula C12H10N2O4S
InChI InChI=1S/C12H10N2O4S/c1-18-8-4-2-3-6(9(8)15)5-7-10(16)13-12(19)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,19)
InChIKey LVXHHFQWRVNTRZ-UHFFFAOYSA-N
SMILES OC1=NC(N=C(C1=CC1=CC=CC(=C1O)OC)O)=S
Spectrum/Structure Validation Score (Raman) 0.977925