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1-(2-(benzylcarbamoyl)-4-iodophenyl)-3-phenylurea
SpectraBase Compound ID 67XYa4Qmaen
InChI InChI=1S/C21H18IN3O2/c22-16-11-12-19(25-21(27)24-17-9-5-2-6-10-17)18(13-16)20(26)23-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,26)(H2,24,25,27)
InChIKey BPAPDCXLGBCPIQ-UHFFFAOYSA-N
Mol Weight 471.3 g/mol
Molecular Formula C21H18IN3O2
Exact Mass 471.044372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8W1IM9YRYSt
Name 1-(2-(benzylcarbamoyl)-4-iodophenyl)-3-phenylurea
Appearance Green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18IN3O2
InChI InChI=1S/C21H18IN3O2/c22-16-11-12-19(25-21(27)24-17-9-5-2-6-10-17)18(13-16)20(26)23-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,26)(H2,24,25,27)
InChIKey BPAPDCXLGBCPIQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2953
Molecular Weight 471.298 g/mol
SMILES N(Cc1ccccc1)C(c1c(ccc(c1)I)NC(=O)Nc1ccccc1)=O
SPLASH splash10-0iki-0532900000-404aed41b181118f3ab4
Source of Spectrum Y-54-3337-3
Wiley ID 1878677