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SHBTUGJAKBRBBJ-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

SHBTUGJAKBRBBJ-UHFFFAOYSA-N
SpectraBase Compound ID KyBUJc9HOSJ
InChI InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChIKey SHBTUGJAKBRBBJ-UHFFFAOYSA-N
Mol Weight 200.26 g/mol
Molecular Formula C8H12N2O2S
Exact Mass 200.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EOF90dp438f
Name 1,3-Diethyl-2-thiobarbituric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 161950
CAS Registry Number 5217-47-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2S
InChI 1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChIKey SHBTUGJAKBRBBJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001920