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5-(5-bromo-2-propoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

View entire compound with spectra: 2 NMR

5-(5-bromo-2-propoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID AD6tReAfrci
InChI InChI=1S/C14H13BrN2O3S/c1-2-5-20-11-4-3-9(15)6-8(11)7-10-12(18)16-14(21)17-13(10)19/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18,19,21)
InChIKey SMLAXBAAQHWPEC-UHFFFAOYSA-N
Mol Weight 369.23 g/mol
Molecular Formula C14H13BrN2O3S
Exact Mass 367.983026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWmj8Go8268
Name 5-(5-Bromo-2-propoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Comments Computed using HOSE algorithm
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Exact Mass 367.983026458 u
Formula C14H13BrN2O3S
InChI InChI=1S/C14H13BrN2O3S/c1-2-5-20-11-4-3-9(15)6-8(11)7-10-12(18)16-14(21)17-13(10)19/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18,19,21)
InChIKey SMLAXBAAQHWPEC-UHFFFAOYSA-N
Molecular Weight 369.233 g/mol
SMILES N1C(=S)NC(C(C1=O)=CC=1C(=CC=C(C1)Br)OCCC)=O