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 Google Search
Mol Weight	540.99 g/mol
Molecular Formula	C27H30ClN4O4P
Exact Mass	540.16932 g/mol

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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