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1-(2-Chloroethyl)-1-nitrosourea

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

1-(2-Chloroethyl)-1-nitrosourea
SpectraBase Compound ID BS85wWpeSFH
InChI InChI=1S/C3H6ClN3O2/c4-1-2-7(6-9)3(5)8/h1-2H2,(H2,5,8)
InChIKey NVKGVBZZSJFQLM-UHFFFAOYSA-N
Mol Weight 151.55 g/mol
Molecular Formula C3H6ClN3O2
Exact Mass 151.014854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INW78aCj7Fe
Name 1-(2-Chloroethyl)-3-nitrosourea-(15)N3,(15)N
CAS Registry Number 2365-30-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H6ClN3O2
InChI InChI=1S/C3H6ClN3O2/c4-1-2-7(6-9)3(5)8/h1-2H2,(H2,5,8)
InChIKey NVKGVBZZSJFQLM-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