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1-[3-(3-Butyl-2-oxo-2-ethoxy-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]cyclohexylsulfurilamine
SpectraBase Compound ID 8lzpV8SmvfO
InChI InChI=1S/C26H37N4O5PS/c1-3-5-16-30-19-22-15-14-21(18-25(22)27-36(30,32)35-4-2)26(31)20-10-9-13-24(17-20)29-37(33,34)28-23-11-7-6-8-12-23/h9-10,13-15,17-18,23,28-29H,3-8,11-12,16,19H2,1-2H3,(H,27,32)
InChIKey LNKCPKOTGQCXKZ-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C26H37N4O5PS
Exact Mass 548.222228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYp7wQZyl4C
Name 1-[3-(3-Butyl-2-oxo-2-ethoxy-1,2,3,4-tetrahydrobenzo[1,3,2]diazaphosphonine-7-carbonyl)phenyl]cyclohexylsulfurilamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37N4O5PS
InChI InChI=1S/C26H37N4O5PS/c1-3-5-16-30-19-22-15-14-21(18-25(22)27-36(30,32)35-4-2)26(31)20-10-9-13-24(17-20)29-37(33,34)28-23-11-7-6-8-12-23/h9-10,13-15,17-18,23,28-29H,3-8,11-12,16,19H2,1-2H3,(H,27,32)
InChIKey LNKCPKOTGQCXKZ-UHFFFAOYSA-N
Molecular Weight 548.639 g/mol
SMILES N1c2cc(C(c3cc(NS(NC4CCCCC4)(=O)=O)ccc3)=O)ccc2CN(P1(=O)OCC)CCCC
SPLASH splash10-0017-6029000000-5aa26dd3d623de0a27c4
Source of Spectrum F-52-12332-20
Synonyms N-{3-[(3-butyl-2-ethoxy-2-oxido-1,2,3,4-tetrahydro-1,3,2-benzodiazaphosphin-7-yl)carbonyl]phenyl}-N'-cyclohexylsulfamide
Wiley ID 798998