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2-(N-Benzylamino)-1-[N-(p-tolylsulfinyl)amino]-1-(N',N'-bis(diethyl)phosphoramido)-3-(4-chlorophenylthio)propane

View entire compound with spectra: 1 MS (GC)

2-(N-Benzylamino)-1-[N-(p-tolylsulfinyl)amino]-1-(N',N'-bis(diethyl)phosphoramido)-3-(4-chlorophenylthio)propane
SpectraBase Compound ID 5dh2Of9iSHF
InChI InChI=1S/C31H44ClN4O2PS2/c1-6-35(7-2)39(37,36(8-3)9-4)31(34-41(38)29-21-15-25(5)16-22-29)30(33-23-26-13-11-10-12-14-26)24-40-28-19-17-27(32)18-20-28/h10-22,30-31,33-34H,6-9,23-24H2,1-5H3/t30-,31-,41?/m1/s1
InChIKey BZMSHTKMIQZOQQ-MJTDBWRZSA-N
Mol Weight 635.3 g/mol
Molecular Formula C31H44ClN4O2PS2
Exact Mass 634.233184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hte0Zx5xhRj
Name 2-(N-Benzylamino)-1-[N-(p-tolylsulfinyl)amino]-1-(N',N'-bis(diethyl)phosphoramido)-3-(4-chlorophenylthio)propane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44ClN4O2PS2
InChI InChI=1S/C31H44ClN4O2PS2/c1-6-35(7-2)39(37,36(8-3)9-4)31(34-41(38)29-21-15-25(5)16-22-29)30(33-23-26-13-11-10-12-14-26)24-40-28-19-17-27(32)18-20-28/h10-22,30-31,33-34H,6-9,23-24H2,1-5H3/t30-,31-,41?/m1/s1
InChIKey BZMSHTKMIQZOQQ-MJTDBWRZSA-N
Molecular Weight 635.266 g/mol
SMILES N([C@@]([C@](NCc1ccccc1)(CSc1ccc(cc1)Cl)[H])(P(N(CC)CC)(N(CC)CC)=O)[H])S(c1ccc(cc1)C)=O
SPLASH splash10-0006-9000000000-9729d3beff70472320b2
Source of Spectrum J-67-2906-7
Wiley ID 1569669