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Pyrrolo[1,2-c][1,3,2]diazaphosphorine-4-carbonitrile, 1,5,6,7-tetrahydro-1-[(phenylmethyl)thio]-3-(1-piperidinyl)-, 1-sulfide
SpectraBase Compound ID ApAJDAqGtw6
InChI InChI=1S/C19H23N4PS2/c20-14-17-18-10-7-13-23(18)24(25,26-15-16-8-3-1-4-9-16)21-19(17)22-11-5-2-6-12-22/h1,3-4,8-9H,2,5-7,10-13,15H2
InChIKey QJDSMGBFLAXXKQ-UHFFFAOYSA-N
Mol Weight 402.51 g/mol
Molecular Formula C19H23N4PS2
Exact Mass 402.110176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOJhM4c9K9y
Name Pyrrolo[1,2-c][1,3,2]diazaphosphorine-4-carbonitrile, 1,5,6,7-tetrahydro-1-[(phenylmethyl)thio]-3-(1-piperidinyl)-, 1-sulfide
Alternate Name(s) 1-(Phenylmethylthio)-3-(1-piperidinyl)-1-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c][1,3,2]diazaphosphorine-4-carbonitrile 1-Benzylsulfanyl-3-piperidin-1-yl-1-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile 1-Benzylsulfanyl-3-(1-piperidyl)-1-thioxo-6,7-dihydro-5H-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile 1-(Phenylmethylsulfanyl)-3-piperidin-1-yl-1-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
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Formula C19H23N4PS2
InChI InChI=1S/C19H23N4PS2/c20-14-17-18-10-7-13-23(18)24(25,26-15-16-8-3-1-4-9-16)21-19(17)22-11-5-2-6-12-22/h1,3-4,8-9H,2,5-7,10-13,15H2
InChIKey QJDSMGBFLAXXKQ-UHFFFAOYSA-N
Molecular Weight 402.515 g/mol
SMILES C(C=1C(N2CCCCC2)=NP(N2CCCC12)(=S)SCc1ccccc1)#N
SPLASH splash10-0002-6290000000-60e2f12bcce96a75810f
Source of Spectrum IY-1-4695-9
Wiley ID 1654942