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1-(2,5-Dimethoxyphenyl)-3-(p-nitrobenzoyl)-2-thiourea

View entire compound with spectra: 2 NMR

1-(2,5-Dimethoxyphenyl)-3-(p-nitrobenzoyl)-2-thiourea
SpectraBase Compound ID JMnK0S7bDpM
InChI InChI=1S/C16H15N3O5S/c1-23-12-7-8-14(24-2)13(9-12)17-16(25)18-15(20)10-3-5-11(6-4-10)19(21)22/h3-9H,1-2H3,(H2,17,18,20,25)
InChIKey KWWMKDWXBRSFEJ-UHFFFAOYSA-N
Mol Weight 361.37 g/mol
Molecular Formula C16H15N3O5S
Exact Mass 361.073242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CrKw3VhDo7
Name 1-(2,5-Dimethoxyphenyl)-3-(p-nitrobenzoyl)-2-thiourea
Comments Computed using HOSE algorithm
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Exact Mass 361.073241764 u
Formula C16H15N3O5S
InChI InChI=1S/C16H15N3O5S/c1-23-12-7-8-14(24-2)13(9-12)17-16(25)18-15(20)10-3-5-11(6-4-10)19(21)22/h3-9H,1-2H3,(H2,17,18,20,25)
InChIKey KWWMKDWXBRSFEJ-UHFFFAOYSA-N
Molecular Weight 361.372 g/mol
SMILES N(C(C1=CC=C(C=C1)N(=O)=O)=O)C(NC=1C(=CC=C(C1)OC)OC)=S