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(3-methylsulfonyl-5-oxidanylidene-1,2-diphenyl-2H-pyrrol-4-yl) N,N'-dicyclohexylcarbamimidate
SpectraBase Compound ID EhTCegjSjKt
InChI InChI=1S/C30H37N3O4S/c1-38(35,36)28-26(22-14-6-2-7-15-22)33(25-20-12-5-13-21-25)29(34)27(28)37-30(31-23-16-8-3-9-17-23)32-24-18-10-4-11-19-24/h2,5-7,12-15,20-21,23-24,26H,3-4,8-11,16-19H2,1H3,(H,31,32)
InChIKey VWTMHRWKWQUPRU-UHFFFAOYSA-N
Mol Weight 535.7 g/mol
Molecular Formula C30H37N3O4S
Exact Mass 535.250478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HuBMCN0xgW
Name (3-methylsulfonyl-5-oxidanylidene-1,2-diphenyl-2H-pyrrol-4-yl) N,N'-dicyclohexylcarbamimidate
Alternate Name(s) (3-methylsulfonyl-5-oxo-1,2-diphenyl-2H-pyrrol-4-yl) N,N'-dicyclohexylcarbamimidate 1,3-Dicyclohexyl-2-(2-keto-4-mesyl-1,5-diphenyl-3-pyrrolin-3-yl)isourea 1,3-Dicyclohexyl-2-(3-methylsulfonyl-5-oxo-1,2-diphenyl-2H-pyrrol-4-yl)isourea N,N'-dicyclohexylcarbamimidic acid (3-methylsulfonyl-5-oxo-1,2-diphenyl-2H-pyrrol-4-yl) ester
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Formula C30H37N3O4S
InChI InChI=1S/C30H37N3O4S/c1-38(35,36)28-26(22-14-6-2-7-15-22)33(25-20-12-5-13-21-25)29(34)27(28)37-30(31-23-16-8-3-9-17-23)32-24-18-10-4-11-19-24/h2,5-7,12-15,20-21,23-24,26H,3-4,8-11,16-19H2,1H3,(H,31,32)
InChIKey VWTMHRWKWQUPRU-UHFFFAOYSA-N
Molecular Weight 535.703 g/mol
SMILES N(\C(OC1=C(C(N(c2ccccc2)C1=O)c1ccccc1)S(=O)(=O)C)=N/C1CCCCC1)C1CCCCC1
SPLASH splash10-0a4i-7792500000-775370e4583f9debaf95
Wiley ID 1454488