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

View entire compound with spectra: 12 NMR, and 1 MS (GC)

1,3-Bis-(2-chloroethyl)-1-nitrosourea
SpectraBase Compound ID SrQkHm27Iq
InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChIKey DLGOEMSEDOSKAD-UHFFFAOYSA-N
Mol Weight 214.05 g/mol
Molecular Formula C5H9Cl2N3O2
Exact Mass 213.007182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48unBMABgZ
Name 1,3-Bis-(2-chloroethyl)-1-nitrosourea-(15)N1,(15)N3,(15)N
CAS Registry Number 79664-69-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H9Cl2N3O2
InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChIKey DLGOEMSEDOSKAD-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference J. Org. Chem. 46, 5309 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6