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5-[N,N-Bis(2-chloroethyl)amino]-4-nitroanthranlic acid
SpectraBase Compound ID 7MvmL8w2yM5
InChI InChI=1S/C11H13Cl2N3O4/c12-1-3-15(4-2-13)9-5-7(11(17)18)8(14)6-10(9)16(19)20/h5-6H,1-4,14H2,(H,17,18)
InChIKey XLYDCRUOTMRURW-UHFFFAOYSA-N
Mol Weight 322.15 g/mol
Molecular Formula C11H13Cl2N3O4
Exact Mass 321.028311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZOcKTk9S7n
Name 5-[N,N-Bis(2-chloroethyl)amino]-4-nitroanthranlic acid
Alternate Name(s) 2-Amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoic acid 2-Azanyl-5-[bis(2-chloroethyl)amino]-4-nitro-benzoic acid
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Formula C11H13Cl2N3O4
InChI InChI=1S/C11H13Cl2N3O4/c12-1-3-15(4-2-13)9-5-7(11(17)18)8(14)6-10(9)16(19)20/h5-6H,1-4,14H2,(H,17,18)
InChIKey XLYDCRUOTMRURW-UHFFFAOYSA-N
Molecular Weight 322.148 g/mol
SMILES Nc1c(C(=O)O)cc(c(c1)N(=O)=O)N(CCCl)CCCl
SPLASH splash10-00di-0092000000-b1ca2d0b115a8b87c483
Source of Spectrum E1-38-1239-24
Wiley ID 1598245