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4-[[4,6-bis(isopropylamino)-s-triazin-2-yl]oxy]-3,5-diiodo-benzoic acid methyl ester
SpectraBase Compound ID FPGroimXVt5
InChI InChI=1S/C17H21I2N5O3/c1-8(2)20-15-22-16(21-9(3)4)24-17(23-15)27-13-11(18)6-10(7-12(13)19)14(25)26-5/h6-9H,1-5H3,(H2,20,21,22,23,24)
InChIKey ANLDLCDMMRAZDB-UHFFFAOYSA-N
Mol Weight 597.2 g/mol
Molecular Formula C17H21I2N5O3
Exact Mass 596.97338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eqTse01K5e
Name 4-[[4,6-bis(isopropylamino)-s-triazin-2-yl]oxy]-3,5-diiodo-benzoic acid methyl ester
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Formula C17H21I2N5O3
InChI InChI=1S/C17H21I2N5O3/c1-8(2)20-15-22-16(21-9(3)4)24-17(23-15)27-13-11(18)6-10(7-12(13)19)14(25)26-5/h6-9H,1-5H3,(H2,20,21,22,23,24)
InChIKey ANLDLCDMMRAZDB-UHFFFAOYSA-N
Molecular Weight 597.196 g/mol
SMILES N(c1nc(nc(n1)Oc1c(cc(cc1I)C(OC)=O)I)NC(C)C)C(C)C
SPLASH splash10-014i-2324900000-f04e9417ebc169f13775
Synonyms 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-3,5-diiodobenzoic acid methyl ester Methyl 4-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]oxy]-3,5-diiodo-benzoate Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-3,5-bis(iodanyl)benzoate Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-3,5-diiodobenzoate
Wiley ID 1462430