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1-(3,4-dichlorophenyl)-3-(hexahydro-1H-azepin-1-yl)urea

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(3,4-dichlorophenyl)-3-(hexahydro-1H-azepin-1-yl)urea
SpectraBase Compound ID KRwwcjybOe3
InChI InChI=1S/C13H17Cl2N3O/c14-11-6-5-10(9-12(11)15)16-13(19)17-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8H2,(H2,16,17,19)
InChIKey VKVGZJHXHIVQDK-UHFFFAOYSA-N
Mol Weight 302.21 g/mol
Molecular Formula C13H17Cl2N3O
Exact Mass 301.074868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Irn9urL9cxk
Name 1-(3,4-DICHLOROPHENYL)-3-(HEXAHYDRO-1H-AZEPIN-1-YL)UREA
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17Cl2N3O
InChI InChI=1S/C13H17Cl2N3O/c14-11-6-5-10(9-12(11)15)16-13(19)17-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8H2,(H2,16,17,19)
InChIKey VKVGZJHXHIVQDK-UHFFFAOYSA-N
Molecular Weight 302.21
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms UREA, 1-/3,4-DICHLOROPHENYL/- 3-/HEXAHYDRO-1H-AZEPIN-1-YL/-, UREA, 1-/3,4-DICHLOROPHENYL/- 3-/HEXAHYDRO-1H-AZEPIN-1-YL/-,