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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

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvJz2pOBNmG
Name 1,3-BIS-(2-CHLOROETHYL)-1-NITROSOUREA-(15)N1,(15)N3,(15)N
CAS Registry Number 79664-69-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H9Cl215N3O2
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
Literature Reference Author J.W.LOWN,S.M.S.CHAUHAN
Literature Reference Citation J.ORG.CHEM.,46,5309(1981)
Literature Reference DOI 10.1021/jo00339a010
Solvent DIOXANE+PHOSPHATEBUFFER(PH5.0)
Source File Reference UWSF128