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1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

Compound with spectra: 10 NMR, and 1 MS (GC)

1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N
SpectraBase Compound ID LNTARPCsjiy
InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)/i8+1,9+1,10+1
InChIKey DLGOEMSEDOSKAD-SKMPNTIBSA-N
Mol Weight 217.03 g/mol
Molecular Formula C5H9Cl215N3O2
Exact Mass 215.998287 g/mol

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TRIFLUORETHANOL

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE+PHOSPHATEBUFFER(PH5.0)

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE+PHOSPHATEBUFFER(PH7.2)

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE+PHOSPHATEBUFFER(PH9.0)

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-46-5320-0

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 1,3-bis(2-chloroethyl)-1-(ketoamino)urea
1,3-Bis-(2-chloroethyl)-1-nitrosourea
1,3-Bis-(2-chloroethyl)-1-nitrosourea
1,3-Bis-(2-chloroethyl)-1-nitrosourea
2-[[[2-(chloroethyl)oxy]carbonyl]methylidene]-1,3-di-oxolane
5-Chloranyl-1-phenyl-pentan-2-one
1-Chloro-4-phenyl-2-butanone
2-ETHYL-4-OXO-HEXANOIC-ACID
thiofumaric acid,O,S-diethyl ester
thiomaleic acid, O,S-diethyl ester
(E)-1,1,1-trichloro-4-ethoxy-3-methylbut-3-en-2-one
(Z)-Isopropyl 2-chloro-2-hexenoate
(1-TRIFLUOROMETHYLVINYL)-2'-CHLOROETHYLSULPHOXIDE
1-Acetoxy-7-hydroxy-3,7-dimethyloctane
Title Journal or Book Year
Synthesis of specifically nitrogen-15- and carbon-13-labeled antitumor (2-haloethyl)nitrosoureas. The study of their conformations in solution by nitrogen-15 and carbon-13 nuclear magnetic resonance electronic control in their aqueous decomposition The Journal of Organic Chemistry 1981

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1,3-Bis-(2-chloroethyl)-1-nitrosourea
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