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1-[3-(3-Butyl-2-ethoxy-2-oxo-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-phenylurea
SpectraBase Compound ID BRD341yTS7s
InChI InChI=1S/C27H31N4O4P/c1-3-5-16-31-19-22-15-14-21(18-25(22)30-36(31,34)35-4-2)26(32)20-10-9-13-24(17-20)29-27(33)28-23-11-7-6-8-12-23/h6-15,17-18H,3-5,16,19H2,1-2H3,(H,30,34)(H2,28,29,33)
InChIKey HZVCADMMOLGVIV-UHFFFAOYSA-N
Mol Weight 506.54 g/mol
Molecular Formula C27H31N4O4P
Exact Mass 506.208292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LA8ICvIiiaL
Name 1-[3-(3-Butyl-2-ethoxy-2-oxo-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-phenylurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N4O4P
InChI InChI=1S/C27H31N4O4P/c1-3-5-16-31-19-22-15-14-21(18-25(22)30-36(31,34)35-4-2)26(32)20-10-9-13-24(17-20)29-27(33)28-23-11-7-6-8-12-23/h6-15,17-18H,3-5,16,19H2,1-2H3,(H,30,34)(H2,28,29,33)
InChIKey HZVCADMMOLGVIV-UHFFFAOYSA-N
Molecular Weight 506.543 g/mol
SMILES N1c2cc(C(c3cc(NC(Nc4ccccc4)=O)ccc3)=O)ccc2CN(P1(=O)OCC)CCCC
SPLASH splash10-00kf-9401000000-0584931a6dbaee42414b
Source of Spectrum F-52-12329-2
Synonyms N-{3-[(3-butyl-2-ethoxy-2-oxido-1,2,3,4-tetrahydro-1,3,2-benzodiazaphosphin-7-yl)carbonyl]phenyl}-N'-phenylurea
Wiley ID 799009