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thiourea, N-[(2,3-dimethoxyphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-N'-phenyl-
SpectraBase Compound ID Ao2Dub40vEZ
InChI InChI=1S/C23H31N3O3S/c1-27-21-11-6-8-19(22(21)28-2)18-26(13-7-12-25-14-16-29-17-15-25)23(30)24-20-9-4-3-5-10-20/h3-6,8-11H,7,12-18H2,1-2H3,(H,24,30)
InChIKey WHGCSWKFBSDNPS-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C23H31N3O3S
Exact Mass 429.208613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kbvejff3vO
Name Thiourea, N-[(2,3-dimethoxyphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-N'-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 429.208613041 u
Formula C23H31N3O3S
InChI InChI=1S/C23H31N3O3S/c1-27-21-11-6-8-19(22(21)28-2)18-26(13-7-12-25-14-16-29-17-15-25)23(30)24-20-9-4-3-5-10-20/h3-6,8-11H,7,12-18H2,1-2H3,(H,24,30)
InChIKey WHGCSWKFBSDNPS-UHFFFAOYSA-N
Molecular Weight 429.579 g/mol
SMILES N(C(N(CC=1C(=C(OC)C=CC1)OC)CCCN1CCOCC1)=S)C=1C=CC=CC1