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[1,3,2]Diazaphosphorino[1,6-a]azepine-4-carbonitrile, 1,5,6,7,8,9-hexahydro-3-[(phenylmethyl)amino]-1-[(phenylmethyl)thio]-, 1-sulfide
SpectraBase Compound ID 7k3MrgpilPk
InChI InChI=1S/C23H25N4PS2/c24-16-21-22-14-8-3-9-15-27(22)28(29,30-18-20-12-6-2-7-13-20)26-23(21)25-17-19-10-4-1-5-11-19/h1-2,4-7,10-13H,3,8-9,14-15,17-18H2,(H,25,26,29)
InChIKey NMEILVMVESFIEJ-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C23H25N4PS2
Exact Mass 452.125826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfgRJaYLGm9
Name [1,3,2]Diazaphosphorino[1,6-a]azepine-4-carbonitrile, 1,5,6,7,8,9-hexahydro-3-[(phenylmethyl)amino]-1-[(phenylmethyl)thio]-, 1-sulfide
Alternate Name(s) 3-[(phenylmethyl)amino]-1-(phenylmethylthio)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,3,2]diazaphosphorino[1,6-a]azepine-4-carbonitrile 3-(benzylamino)-1-benzylsulfanyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile 3-(benzylamino)-1-benzylsulfanyl-1-thioxo-6,7,8,9-tetrahydro-5H-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile 3-[(phenylmethyl)amino]-1-(phenylmethylsulfanyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile
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Formula C23H25N4PS2
InChI InChI=1S/C23H25N4PS2/c24-16-21-22-14-8-3-9-15-27(22)28(29,30-18-20-12-6-2-7-13-20)26-23(21)25-17-19-10-4-1-5-11-19/h1-2,4-7,10-13H,3,8-9,14-15,17-18H2,(H,25,26,29)
InChIKey NMEILVMVESFIEJ-UHFFFAOYSA-N
Molecular Weight 452.575 g/mol
SMILES N(Cc1ccccc1)C1=NP(N2C(CCCCC2)=C1C#N)(=S)SCc1ccccc1
SPLASH splash10-0006-9131000000-515a14c716527e7fa77b
Source of Spectrum IY-1-4699-6
Wiley ID 1654979