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N-(PHENOXATHIIN-2-CARBONYL)-N'-(2-NITRO-4-METHOXYPHENYL)-THIOUREA
SpectraBase Compound ID 6kYi0x4O4aT
InChI InChI=1S/C21H15N3O5S2/c1-28-13-7-8-14(15(11-13)24(26)27)22-21(30)23-20(25)12-6-9-17-19(10-12)31-18-5-3-2-4-16(18)29-17/h2-11H,1H3,(H2,22,23,25,30)
InChIKey WQOBBGURQULTDJ-UHFFFAOYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C21H15N3O5S2
Exact Mass 453.045313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5s7gKc7vm1Q
Name N-(PHENOXATHIIN-2-CARBONYL)-N'-(2-NITRO-4-METHOXYPHENYL)-THIOUREA
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N3O5S2
InChI InChI=1S/C21H15N3O5S2/c1-28-13-7-8-14(15(11-13)24(26)27)22-21(30)23-20(25)12-6-9-17-19(10-12)31-18-5-3-2-4-16(18)29-17/h2-11H,1H3,(H2,22,23,25,30)
InChIKey WQOBBGURQULTDJ-UHFFFAOYSA-N
Literature Reference Author N.BADICU,T.LOLOIU,D.GAVRILIU,G.LOLOIU,O.MAIOR
Literature Reference Citation CHEM.HET.COMP.,35,1474(1999)
Literature Reference DOI 10.1007/bf02251824
Molecular Weight 453.487 g/mol
Solvent Unknown
Source File Reference UWMZ15362