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BIS-(2-NITRO-1,3-PHENYLENE)-MACROCYCLE
SpectraBase Compound ID DhXOAIKU3jx
InChI InChI=1S/C72H102N2O22/c1-61(2,3)53-47-57(75)87-39-27-35-83-43-31-25-32-44(51(43)73(79)80)85-37-29-41-89-59(77)49-55(63(7,8)9)93-72(68(22,23)24)50(56(64(10,11)12)94-71(49,96-72)67(19,20)21)60(78)90-42-30-38-86-46-34-26-33-45(52(46)74(81)82)84-36-28-40-88-58(76)48-54(62(4,5)6)92-69(47,65(13,14)15)95-70(48,91-53)66(16,17)18/h25-26,31-34H,27-30,35-42H2,1-24H3/t69-,70-,71+,72+
InChIKey NYRJILYLWBSSNA-IZRMNVJNSA-N
Mol Weight 1347.6 g/mol
Molecular Formula C72H102N2O22
Exact Mass 1346.692423 g/mol
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