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8-Iodo-1,3-diphenyl-6-(pyrrolidin-1-yl)benzo[e][1,2,4]triazin-7(1H)-one
SpectraBase Compound ID ZacQjGhQUG
InChI InChI=1S/C23H19IN4O/c24-20-21-18(15-19(22(20)29)27-13-7-8-14-27)25-23(16-9-3-1-4-10-16)26-28(21)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKey YKDJMQIPQBWGKB-UHFFFAOYSA-N
Mol Weight 494.34 g/mol
Molecular Formula C23H19IN4O
Exact Mass 494.060356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vtWoN6EfXn
Name 8-Iodo-1,3-diphenyl-6-(pyrrolidin-1-yl)benzo[e][1,2,4]triazin-7(1H)-one
Alternate Name(s) 8-Iodo-1,3-diphenyl-6-(1-pyrrolidinyl)-1,2,4-benzotriazin-7-one 8-Iodo-1,3-diphenyl-6-pyrrolidin-1-yl-1,2,4-benzotriazin-7-one 8-Iodanyl-1,3-diphenyl-6-pyrrolidin-1-yl-1,2,4-benzotriazin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19IN4O
InChI InChI=1S/C23H19IN4O/c24-20-21-18(15-19(22(20)29)27-13-7-8-14-27)25-23(16-9-3-1-4-10-16)26-28(21)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKey YKDJMQIPQBWGKB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200966k
Molecular Weight 494.336 g/mol
SMILES C1(=O)C(=CC2=NC(=NN(c3ccccc3)C2=C1I)c1ccccc1)N1CCCC1
SPLASH splash10-00or-6329300000-498bfe0c06a6ba39b2f6
Source of Spectrum J-76-5799-7c
Wiley ID 1746757