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4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Thr.Dev
SpectraBase Compound ID 5FCEI5TM5RC
InChI InChI=1S/C21H21I2N3O4/c1-9-5-15-16(6-10(9)2)25-19(24-15)17-13(22)7-12(8-14(17)23)20(28)26-18(11(3)27)21(29)30-4/h5-8,11,18,27H,1-4H3,(H,24,25)(H,26,28)
InChIKey GYTAFKJTOBZYDD-UHFFFAOYSA-N
Mol Weight 633.22 g/mol
Molecular Formula C21H21I2N3O4
Exact Mass 632.962146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHQQeyWZW3D
Name 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Thr.Dev
Alternate Name(s) Methyl 2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzamido)-3-hydroxybutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21I2N3O4
InChI InChI=1S/C21H21I2N3O4/c1-9-5-15-16(6-10(9)2)25-19(24-15)17-13(22)7-12(8-14(17)23)20(28)26-18(11(3)27)21(29)30-4/h5-8,11,18,27H,1-4H3,(H,24,25)(H,26,28)
InChIKey GYTAFKJTOBZYDD-UHFFFAOYSA-N
Molecular Weight 633.225 g/mol
SMILES [nH]1c2cc(c(cc2nc1-c1c(cc(C(NC(C(O)C)C(=O)OC)=O)cc1I)I)C)C
SPLASH splash10-00di-3400934000-47b6b373d95c55e73cef
Source of Spectrum EMC-42-788-6c
Wiley ID 1735564