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5-[N,N-Bis(2-chloroethyl)amino]-4-nitroanthranlic acid methyl ester
SpectraBase Compound ID B7M7UO0byKi
InChI InChI=1S/C12H15Cl2N3O4/c1-21-12(18)8-6-10(16(4-2-13)5-3-14)11(17(19)20)7-9(8)15/h6-7H,2-5,15H2,1H3
InChIKey HPEWECBGRUOFSB-UHFFFAOYSA-N
Mol Weight 336.18 g/mol
Molecular Formula C12H15Cl2N3O4
Exact Mass 335.043961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVgBXZUfQCt
Name 5-[N,N-Bis(2-chloroethyl)amino]-4-nitroanthranlic acid methyl ester
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Formula C12H15Cl2N3O4
InChI InChI=1S/C12H15Cl2N3O4/c1-21-12(18)8-6-10(16(4-2-13)5-3-14)11(17(19)20)7-9(8)15/h6-7H,2-5,15H2,1H3
InChIKey HPEWECBGRUOFSB-UHFFFAOYSA-N
Molecular Weight 336.175 g/mol
SMILES Nc1c(C(=O)OC)cc(c(N(=O)=O)c1)N(CCCl)CCCl
SPLASH splash10-000i-0092000000-6617afb840a40899986b
Source of Spectrum E1-38-1239-33
Synonyms 2-Amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoic acid methyl ester Methyl 2-amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoate Methyl 2-amino-5-[bis(2-chloroethyl)amino]-4-nitro-benzoate Methyl 2-azanyl-5-[bis(2-chloroethyl)amino]-4-nitro-benzoate
Wiley ID 1598244