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Carbamic acid, [1-(1H-indol-3-ylmethyl)-2-[(4-iodophenyl)amino]-2-oxoethyl]-, phenylmethyl ester
SpectraBase Compound ID KtOlWoCuJ0I
InChI InChI=1S/C25H22IN3O3/c26-19-10-12-20(13-11-19)28-24(30)23(14-18-15-27-22-9-5-4-8-21(18)22)29-25(31)32-16-17-6-2-1-3-7-17/h1-13,15,23,27H,14,16H2,(H,28,30)(H,29,31)
InChIKey MCQHBMBQDSYZTA-UHFFFAOYSA-N
Mol Weight 539.37 g/mol
Molecular Formula C25H22IN3O3
Exact Mass 539.070587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FU2VcyIzxsV
Name Carbamic acid, [1-(1H-indol-3-ylmethyl)-2-[(4-iodophenyl)amino]-2-oxoethyl]-, phenylmethyl ester
Alternate Name(s) N-[3-(1H-indol-3-yl)-1-(4-iodoanilino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester benzyl N-[3-(1H-indol-3-yl)-1-(4-iodoanilino)-1-oxopropan-2-yl]carbamate benzyl N-[1-(1H-indol-3-ylmethyl)-2-(4-iodoanilino)-2-oxo-ethyl]carbamate (phenylmethyl) N-[3-(1H-indol-3-yl)-1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate
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Formula C25H22IN3O3
InChI InChI=1S/C25H22IN3O3/c26-19-10-12-20(13-11-19)28-24(30)23(14-18-15-27-22-9-5-4-8-21(18)22)29-25(31)32-16-17-6-2-1-3-7-17/h1-13,15,23,27H,14,16H2,(H,28,30)(H,29,31)
InChIKey MCQHBMBQDSYZTA-UHFFFAOYSA-N
Molecular Weight 539.373 g/mol
SMILES [nH]1c2c(c(CC(C(Nc3ccc(cc3)I)=O)NC(=O)OCc3ccccc3)c1)cccc2
SPLASH splash10-003r-8900000000-310cd228cc12f080044c
Source of Spectrum IY-1-4616-6
Wiley ID 1654149