For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[3-(3-Butyl-2-oxo-2-phenoxy-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]-3-phenylurea
SpectraBase Compound ID 2gCuS7s3Sal
InChI InChI=1S/C31H31N4O4P/c1-2-3-19-35-22-25-18-17-24(21-29(25)34-40(35,38)39-28-15-8-5-9-16-28)30(36)23-11-10-14-27(20-23)33-31(37)32-26-12-6-4-7-13-26/h4-18,20-21H,2-3,19,22H2,1H3,(H,34,38)(H2,32,33,37)
InChIKey HEVBETYRFTXSOY-UHFFFAOYSA-N
Mol Weight 554.59 g/mol
Molecular Formula C31H31N4O4P
Exact Mass 554.208292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6KfNmiAUrPw
Name 1-[3-(3-Butyl-2-oxo-2-phenoxy-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 C31H31N4O4P
InChI InChI=1S/C31H31N4O4P/c1-2-3-19-35-22-25-18-17-24(21-29(25)34-40(35,38)39-28-15-8-5-9-16-28)30(36)23-11-10-14-27(20-23)33-31(37)32-26-12-6-4-7-13-26/h4-18,20-21H,2-3,19,22H2,1H3,(H,34,38)(H2,32,33,37)
InChIKey HEVBETYRFTXSOY-UHFFFAOYSA-N
Molecular Weight 554.587 g/mol
SMILES N1c2cc(C(c3cc(NC(Nc4ccccc4)=O)ccc3)=O)ccc2CN(P1(Oc1ccccc1)=O)CCCC
SPLASH splash10-00kf-6003900000-6091c2cd6ba26b16549e
Source of Spectrum F-52-12329-7
Synonyms N-{3-[(3-butyl-2-oxido-2-phenoxy-1,2,3,4-tetrahydro-1,3,2-benzodiazaphosphin-7-yl)carbonyl]phenyl}-N'-phenylurea
Wiley ID 799008