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1-[3-(3-Butyl-2-oxo-2-(4-methoxyphenyloxy)-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-phenylurea

View entire compound with spectra: 1 MS (GC)

1-[3-(3-Butyl-2-oxo-2-(4-methoxyphenyloxy)-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-phenylurea
SpectraBase Compound ID L9mSi6rVPkR
InChI InChI=1S/C32H33N4O5P/c1-3-4-19-36-22-25-14-13-24(21-30(25)35-42(36,39)41-29-17-15-28(40-2)16-18-29)31(37)23-9-8-12-27(20-23)34-32(38)33-26-10-6-5-7-11-26/h5-18,20-21H,3-4,19,22H2,1-2H3,(H,35,39)(H2,33,34,38)
InChIKey ZKKGBGWQJBIZEU-UHFFFAOYSA-N
Mol Weight 584.6 g/mol
Molecular Formula C32H33N4O5P
Exact Mass 584.218857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIRF6Nvggog
Name 1-[3-(3-Butyl-2-oxo-2-(4-methoxyphenyloxy)-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 C32H33N4O5P
InChI InChI=1S/C32H33N4O5P/c1-3-4-19-36-22-25-14-13-24(21-30(25)35-42(36,39)41-29-17-15-28(40-2)16-18-29)31(37)23-9-8-12-27(20-23)34-32(38)33-26-10-6-5-7-11-26/h5-18,20-21H,3-4,19,22H2,1-2H3,(H,35,39)(H2,33,34,38)
InChIKey ZKKGBGWQJBIZEU-UHFFFAOYSA-N
Molecular Weight 584.613 g/mol
SMILES N1c2cc(C(c3cc(NC(Nc4ccccc4)=O)ccc3)=O)ccc2CN(P1(Oc1ccc(cc1)OC)=O)CCCC
SPLASH splash10-00kf-9500000000-add4ff7478483680e2c7
Source of Spectrum F-52-12330-8
Synonyms N-(3-{[3-butyl-2-(4-methoxyphenoxy)-2-oxido-1,2,3,4-tetrahydro-1,3,2-benzodiazaphosphin-7-yl]carbonyl}phenyl)-N'-phenylurea
Wiley ID 799006