John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=44eFyftYJA9

(accessed ).
N,N,N',N',N''-PENTAMETHYL-1,4,7-TRIAZAHEPTANE-1,7-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-ERGOSTA-5,7,22-TRIENE)-AMMONIUM-DIBROMIDE
SpectraBase Compound ID 44eFyftYJA9
InChI InChI=1S/C69H113N3O4.2BrH/c1-46(2)48(5)18-20-50(7)58-26-28-60-56-24-22-52-42-54(30-34-66(52,9)62(56)32-36-68(58,60)11)75-64(73)44-71(14,15)40-38-70(13)39-41-72(16,17)45-65(74)76-55-31-35-67(10)53(43-55)23-25-57-61-29-27-59(69(61,12)37-33-63(57)67)51(8)21-19-49(6)47(3)4;;/h18-25,46-51,54-55,58-63H,26-45H2,1-17H3;2*1H/q+2;;/p-2/b20-18+,21-19+;;/t48-,49-,50+,51+,54-,55-,58+,59+,60-,61-,62-,63-,66-,67-,68+,69+;;/m0../s1
InChIKey IPDOABXIZMNUGQ-NIPNNJQVSA-L
Mol Weight 1208.5 g/mol
Molecular Formula C69H113Br2N3O4
Exact Mass 1205.709782 g/mol
Parent InChIKey OQMDTJJQYLJJFT-OEQPGMLISA-L
Enantiomer InChIKey IPDOABXIZMNUGQ-KQFQTTAUSA-L
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

Free Academic Software

ChemWindow structure drawing, spectral analysis, and more

Additional Academic Resources

Offers every student and faculty member unlimited access to millions of spectra and advanced software