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2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid
SpectraBase Compound ID CUA7YcUnm9f
InChI InChI=1S/C12H15Cl2NO2/c13-5-7-15(8-6-14)11-3-1-10(2-4-11)9-12(16)17/h1-4H,5-9H2,(H,16,17)
InChIKey RQAFMLCWWGDNLI-UHFFFAOYSA-N
Mol Weight 276.16 g/mol
Molecular Formula C12H15Cl2NO2
Exact Mass 275.047984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vyr46bD7XW
Name 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid
Alternate Name(s) 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoic acid {4-[bis(2-chloroethyl)amino]phenyl}acetic acid
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Formula C12H15Cl2NO2
InChI InChI=1S/C12H15Cl2NO2/c13-5-7-15(8-6-14)11-3-1-10(2-4-11)9-12(16)17/h1-4H,5-9H2,(H,16,17)
InChIKey RQAFMLCWWGDNLI-UHFFFAOYSA-N
Molecular Weight 276.163 g/mol
SMILES OC(=O)Cc1ccc(cc1)N(CCCl)CCCl
SPLASH splash10-004i-0190000000-592561c54a114beb5dff
Source of Spectrum SB-50-1175-2
Wiley ID 1278890