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3-(2-Iodo-4,5-dimethoxybenzyl)-7,8-dimethoxy-1,3-dihydrobenzo[d]azapin-2-one
SpectraBase Compound ID 1MnHLUVePSi
InChI InChI=1S/C21H22INO5/c1-25-17-7-13-5-6-23(21(24)10-14(13)8-18(17)26-2)12-15-9-19(27-3)20(28-4)11-16(15)22/h5-9,11H,10,12H2,1-4H3
InChIKey CCRHTWRDFLDBQO-UHFFFAOYSA-N
Mol Weight 495.31 g/mol
Molecular Formula C21H22INO5
Exact Mass 495.054268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10omMpFz3lm
Name 3-(2-Iodo-4,5-dimethoxybenzyl)-7,8-dimethoxy-1,3-dihydrobenzo[d]azapin-2-one
Alternate Name(s) 3-[(2-iodo-4,5-dimethoxyphenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one 3-[(2-iodo-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one 3-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22INO5
InChI InChI=1S/C21H22INO5/c1-25-17-7-13-5-6-23(21(24)10-14(13)8-18(17)26-2)12-15-9-19(27-3)20(28-4)11-16(15)22/h5-9,11H,10,12H2,1-4H3
InChIKey CCRHTWRDFLDBQO-UHFFFAOYSA-N
Molecular Weight 495.313 g/mol
SMILES C1(N(C=Cc2cc(c(cc2C1)OC)OC)Cc1c(cc(c(c1)OC)OC)I)=O
SPLASH splash10-014i-0029000000-b1edbd946b342b078a5c
Source of Spectrum F-65-354-8
Wiley ID 1682127