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trans-4-((2-acetylamino-3,5-dibromobenzyl)-amino)-1-acetoxy-cyclohexane
SpectraBase Compound ID 4297zZTfh2N
InChI InChI=1S/C17H22Br2N2O3/c1-10(22)21-17-12(7-13(18)8-16(17)19)9-20-14-3-5-15(6-4-14)24-11(2)23/h7-8,14-15,20H,3-6,9H2,1-2H3,(H,21,22)/t14-,15-
InChIKey KFQXTWKCBVQDPP-SHTZXODSSA-N
Mol Weight 462.18 g/mol
Molecular Formula C17H22Br2N2O3
Exact Mass 459.999719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKQbwb5ujh5
Name trans-4-((2-acetylamino-3,5-dibromobenzyl)-amino)-1-acetoxy-cyclohexane
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Formula C17H22Br2N2O3
InChI InChI=1S/C17H22Br2N2O3/c1-10(22)21-17-12(7-13(18)8-16(17)19)9-20-14-3-5-15(6-4-14)24-11(2)23/h7-8,14-15,20H,3-6,9H2,1-2H3,(H,21,22)/t14-,15-
InChIKey KFQXTWKCBVQDPP-SHTZXODSSA-N
Molecular Weight 462.182 g/mol
SMILES N(Cc1c(c(cc(c1)Br)Br)NC(=O)C)[C@]1(CC[C@](OC(=O)C)(CC1)[H])[H]
SPLASH splash10-02cr-3090400000-9f60d89d08a54a78a72c
Source of Spectrum CJ-1992-0-0
Synonyms 4-{[2-(acetylamino)-3,5-dibromobenzyl]amino}cyclohexyl acetate
Wiley ID 1390376