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(R,Sp,R)-4,15-Dihydroxy-5,16-di[1'-(1"-phenylethylamino)ethyl][2.2]paracyclophane
SpectraBase Compound ID 3jXbomBGi9j
InChI InChI=1S/C36H38N2O2/c1-23(27-11-7-5-8-12-27)37-25(3)33-29-15-16-30-18-20-32(22-21-31(19-17-29)35(33)39)36(40)34(30)26(4)38-24(2)28-13-9-6-10-14-28/h5-14,17-20,23-24,39-40H,15-16,21-22H2,1-4H3/b37-25+,38-26+/t23-,24+
InChIKey GGFNEYXUGAPTSE-SVXYQGLOSA-N
Mol Weight 530.7 g/mol
Molecular Formula C36H38N2O2
Exact Mass 530.293328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vfL9vy2jtU
Name (R,Sp,R)-4,15-Dihydroxy-5,16-di[1'-(1"-phenylethylamino)ethyl][2.2]paracyclophane
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Formula C36H38N2O2
InChI InChI=1S/C36H38N2O2/c1-23(27-11-7-5-8-12-27)37-25(3)33-29-15-16-30-18-20-32(22-21-31(19-17-29)35(33)39)36(40)34(30)26(4)38-24(2)28-13-9-6-10-14-28/h5-14,17-20,23-24,39-40H,15-16,21-22H2,1-4H3/b37-25+,38-26+/t23-,24+
InChIKey GGFNEYXUGAPTSE-SVXYQGLOSA-N
Molecular Weight 530.712 g/mol
SMILES Oc1c(c2CCc3c(c(c(CCc1cc2)cc3)O)\C(=N\[C@@](c1ccccc1)(C)[H])C)\C(=N\[C@](c1ccccc1)(C)[H])C
SPLASH splash10-0bt9-0900000000-7255e1fb84d521ffb1ff
Source of Spectrum QE-14-4615-Sp-25
Synonyms 11-{1-[(E)-(S)-1-Phenyl-ethylimino]-ethyl}-6-{1-[(E)-(R)-1-phenyl-ethylimino]-ethyl}-tricyclo[8.2.2.2*4,7*]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-5,12-diol
Wiley ID 1692127