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(+/-)-exo-4-Phenyl-11-(2-iodobenzyl)-4,11-diazatricyclo[5.3.1.0(2,6)]undec-9-ene-3,5,8-trione
SpectraBase Compound ID CoxKZxBT7EQ
InChI InChI=1S/C22H17IN2O3/c23-15-9-5-4-6-13(15)12-24-16-10-11-17(26)20(24)19-18(16)21(27)25(22(19)28)14-7-2-1-3-8-14/h1-11,16,18-20H,12H2
InChIKey AESIHCJTJMXMOJ-UHFFFAOYSA-N
Mol Weight 484.29 g/mol
Molecular Formula C22H17IN2O3
Exact Mass 484.028387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yTMcvtvReU
Name (+/-)-exo-4-Phenyl-11-(2-iodobenzyl)-4,11-diazatricyclo[5.3.1.0(2,6)]undec-9-ene-3,5,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17IN2O3
InChI InChI=1S/C22H17IN2O3/c23-15-9-5-4-6-13(15)12-24-16-10-11-17(26)20(24)19-18(16)21(27)25(22(19)28)14-7-2-1-3-8-14/h1-11,16,18-20H,12H2
InChIKey AESIHCJTJMXMOJ-UHFFFAOYSA-N
Molecular Weight 484.293 g/mol
SMILES C12C3C(N(C(C3C(C(C=C1)=O)N2Cc1c(cccc1)I)=O)c1ccccc1)=O
SPLASH splash10-01q0-0049200000-ed7a86e21ef33a771543
Source of Spectrum KC-57-7744-3
Synonyms 11-(2-iodobenzyl)-4-phenyl-4,11-diazatricyclo[5.3.1.0(2,6)]undec-9-ene-3,5,8-trione
Wiley ID 1625605