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1-[3-(3-Butyl-2-oxo-2-ethoxy-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-(4-chlorophenyl)urea
SpectraBase Compound ID Jl0gEvs4L6j
InChI InChI=1S/C27H30ClN4O4P/c1-3-5-15-32-18-21-10-9-20(17-25(21)31-37(32,35)36-4-2)26(33)19-7-6-8-24(16-19)30-27(34)29-23-13-11-22(28)12-14-23/h6-14,16-17H,3-5,15,18H2,1-2H3,(H,31,35)(H2,29,30,34)
InChIKey DQBWOSMTJGHREF-UHFFFAOYSA-N
Mol Weight 540.99 g/mol
Molecular Formula C27H30ClN4O4P
Exact Mass 540.16932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HgxorjYw4
Name 1-[3-(3-Butyl-2-oxo-2-ethoxy-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-(4-chlorophenyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30ClN4O4P
InChI InChI=1S/C27H30ClN4O4P/c1-3-5-15-32-18-21-10-9-20(17-25(21)31-37(32,35)36-4-2)26(33)19-7-6-8-24(16-19)30-27(34)29-23-13-11-22(28)12-14-23/h6-14,16-17H,3-5,15,18H2,1-2H3,(H,31,35)(H2,29,30,34)
InChIKey DQBWOSMTJGHREF-UHFFFAOYSA-N
Molecular Weight 540.988 g/mol
SMILES N1c2cc(C(c3cc(NC(Nc4ccc(cc4)Cl)=O)ccc3)=O)ccc2CN(P1(=O)OCC)CCCC
SPLASH splash10-0fb9-1901000000-dfe34f341c6b94914f64
Source of Spectrum F-52-12331-17
Synonyms N-{3-[(3-butyl-2-ethoxy-2-oxido-1,2,3,4-tetrahydro-1,3,2-benzodiazaphosphin-7-yl)carbonyl]phenyl}-N'-(4-chlorophenyl)urea
Wiley ID 799001