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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8wSliulqDV
Name 1,3-bis(2-chloroethyl)-1-(ketoamino)urea
Alternate Name(s) 1,3-bis(2-chloroethyl)-1-(oxidanylideneamino)urea 1,3-bis(2-chloroethyl)-1-(oxoamino)urea
CAS Registry Number 79664-69-0
Comments Original formula: C5H9Cl2[15N]3O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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)/i8+1,9+1,10+1
InChIKey DLGOEMSEDOSKAD-SKMPNTIBSA-N
Molecular Weight 217.031 g/mol
SMILES [15NH](C([15N]([15N]=O)CCCl)=O)CCCl
SPLASH splash10-03di-9100000000-b2c2fb023fb14c099ace
Source of Spectrum J-46-5320-0
Wiley ID 94776