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1-[(1R,2R)-2-iodanylcyclohexyl]-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]urea
SpectraBase Compound ID AIGL4LNGdkI
InChI InChI=1S/C16H21IN2O2/c1-11-6-8-12(9-7-11)15(20)10-18-16(21)19-14-5-3-2-4-13(14)17/h6-9,13-14H,2-5,10H2,1H3,(H2,18,19,21)/t13-,14-/m1/s1
InChIKey LPYWZIAFXAAQNC-ZIAGYGMSSA-N
Mol Weight 400.26 g/mol
Molecular Formula C16H21IN2O2
Exact Mass 400.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LI5y3xJD76u
Name 1-[(1R,2R)-2-iodanylcyclohexyl]-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]urea
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21IN2O2
InChI InChI=1S/C16H21IN2O2/c1-11-6-8-12(9-7-11)15(20)10-18-16(21)19-14-5-3-2-4-13(14)17/h6-9,13-14H,2-5,10H2,1H3,(H2,18,19,21)/t13-,14-/m1/s1
InChIKey LPYWZIAFXAAQNC-ZIAGYGMSSA-N
Molecular Weight 400.260 g/mol
SMILES N(C(NCC(c1ccc(cc1)C)=O)=O)[C@]1([C@](I)(CCCC1)[H])[H]
SPLASH splash10-00vi-1910000000-cf4f858e021afa899c6b
Source of Spectrum Y-28-779-4
Synonyms 1-[(1R,2R)-2-iodocyclohexyl]-3-[2-(4-methylphenyl)-2-oxoethyl]urea 1-[(1R,2R)-2-iodocyclohexyl]-3-[2-keto-2-(p-tolyl)ethyl]urea 1-[(1R,2R)-2-iodocyclohexyl]-3-[2-oxo-2-(p-tolyl)ethyl]urea
Wiley ID 1369219