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7-Chloro-2-n-butylamino-5-phenyl-3H-1,3,4-benzotriazepine
SpectraBase Compound ID HqmAUOjDJWB
InChI InChI=1S/C18H19ClN4/c1-2-3-11-20-18-21-16-10-9-14(19)12-15(16)17(22-23-18)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3,(H2,20,21,23)
InChIKey KJBRUGAPMRUCKH-UHFFFAOYSA-N
Mol Weight 326.83 g/mol
Molecular Formula C18H19ClN4
Exact Mass 326.129824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pw7huy2f3e
Name 7-Chloro-2-n-butylamino-5-phenyl-3H-1,3,4-benzotriazepine
Alternate Name(s) 2-Butylamino-7-chloro-5-phenyl-3H-1,3,4-benzotriazepine N-butyl-7-chloro-5-phenyl-3H-1,3,4-benzotriazepin-2-amine N-butyl-N-(7-chloro-5-phenyl-3H-1,3,4-benzotriazepin-2-yl)amine
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Formula C18H19ClN4
InChI InChI=1S/C18H19ClN4/c1-2-3-11-20-18-21-16-10-9-14(19)12-15(16)17(22-23-18)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3,(H2,20,21,23)
InChIKey KJBRUGAPMRUCKH-UHFFFAOYSA-N
Molecular Weight 326.831 g/mol
SMILES N1N=C(c2c(N=C1NCCCC)ccc(c2)Cl)c1ccccc1
SPLASH splash10-004i-1095000000-c1cd9ebe65fe6820d41f
Source of Spectrum Y-28-1987-9
Wiley ID 1324778