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N,N-bis(2-Chloroethyl)-alpha^4-(p-bromophenylimino)-3,4-xylidine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

N,N-bis(2-Chloroethyl)-alpha^4-(p-bromophenylimino)-3,4-xylidine
SpectraBase Compound ID AgJJN6w93Jr
InChI InChI=1S/C18H19BrCl2N2/c1-14-12-18(23(10-8-20)11-9-21)7-2-15(14)13-22-17-5-3-16(19)4-6-17/h2-7,12-13H,8-11H2,1H3/b22-13+
InChIKey BHZHMKCHIOTWFP-LPYMAVHISA-N
Mol Weight 414.17 g/mol
Molecular Formula C18H19BrCl2N2
Exact Mass 412.010867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8V03flPqa08
Name N,N-bis(2-Chloroethyl)-alpha^4-(p-bromophenylimino)-3,4-xylidine
Comments Computed using HOSE algorithm
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Exact Mass 412.010867020 u
Formula C18H19BrCl2N2
InChI InChI=1S/C18H19BrCl2N2/c1-14-12-18(23(10-8-20)11-9-21)7-2-15(14)13-22-17-5-3-16(19)4-6-17/h2-7,12-13H,8-11H2,1H3/b22-13+
InChIKey BHZHMKCHIOTWFP-LPYMAVHISA-N
Molecular Weight 414.174 g/mol
SMILES CC1=C(C=CC(=C1)N(CCCl)CCCl)\C=N\C=1C=CC(=CC1)Br