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(+/-)-exo-4-(4-Ethylphenyl)-11-(2-iodobenzyl)-4,11-diazatricyclo[5.3.1.0(2,6)]undec-9-ene-3,5,8-trione

View entire compound with spectra: 1 MS (GC)

(+/-)-exo-4-(4-Ethylphenyl)-11-(2-iodobenzyl)-4,11-diazatricyclo[5.3.1.0(2,6)]undec-9-ene-3,5,8-trione
SpectraBase Compound ID HLbIs0hN6Fy
InChI InChI=1S/C24H21IN2O3/c1-2-14-7-9-16(10-8-14)27-23(29)20-18-11-12-19(28)22(21(20)24(27)30)26(18)13-15-5-3-4-6-17(15)25/h3-12,18,20-22H,2,13H2,1H3
InChIKey GHMYXMKXPNMVPL-UHFFFAOYSA-N
Mol Weight 512.35 g/mol
Molecular Formula C24H21IN2O3
Exact Mass 512.059688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22iOBGs7VGP
Name (+/-)-exo-4-(4-Ethylphenyl)-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 C24H21IN2O3
InChI InChI=1S/C24H21IN2O3/c1-2-14-7-9-16(10-8-14)27-23(29)20-18-11-12-19(28)22(21(20)24(27)30)26(18)13-15-5-3-4-6-17(15)25/h3-12,18,20-22H,2,13H2,1H3
InChIKey GHMYXMKXPNMVPL-UHFFFAOYSA-N
Molecular Weight 512.347 g/mol
SMILES C12C3C(N(C(C3C(C(C=C1)=O)N2Cc1c(cccc1)I)=O)c1ccc(cc1)CC)=O
SPLASH splash10-0gbi-0391200000-1adb88f71872ee6032a1
Source of Spectrum KC-57-7744-3
Synonyms 4-(4-Ethylphenyl)-11-(2-iodobenzyl)-4,11-diazatricyclo[5.3.1.0(2,6)]undec-9-ene-3,5,8-trione
Wiley ID 1625604