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3,6,9,17,20,23-Hexaazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol, 13,27-bis(1,1-dimethylethyl)-6,20-didodecyl-
SpectraBase Compound ID EKozNINEq1H
InChI InChI=1S/C56H94N6O2/c1-9-11-13-15-17-19-21-23-25-27-33-61-35-29-57-43-47-39-51(55(3,4)5)41-49(53(47)63)45-59-31-37-62(34-28-26-24-22-20-18-16-14-12-10-2)38-32-60-46-50-42-52(56(6,7)8)40-48(54(50)64)44-58-30-36-61/h39-46,63-64H,9-38H2,1-8H3/b57-43+,58-44+,59-45+,60-46+
InChIKey JTIYETDCVURHII-JHLOQCIUSA-N
Mol Weight 883.4 g/mol
Molecular Formula C56H94N6O2
Exact Mass 882.743826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eq3xnBcCdcp
Name 3,6,9,17,20,23-Hexaazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol, 13,27-bis(1,1-dimethylethyl)-6,20-didodecyl-
CAS Registry Number 130604-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H94N6O2
InChI InChI=1S/C56H94N6O2/c1-9-11-13-15-17-19-21-23-25-27-33-61-35-29-57-43-47-39-51(55(3,4)5)41-49(53(47)63)45-59-31-37-62(34-28-26-24-22-20-18-16-14-12-10-2)38-32-60-46-50-42-52(56(6,7)8)40-48(54(50)64)44-58-30-36-61/h39-46,63-64H,9-38H2,1-8H3/b57-43+,58-44+,59-45+,60-46+
InChIKey JTIYETDCVURHII-JHLOQCIUSA-N
Molecular Weight 883.408 g/mol
SMILES Oc1c2\C=N\CCN(CC\N=C\c3c(c(\C=N\CCN(CC\N=C\c1cc(c2)C(C)(C)C)CCCCCCCCCCCC)cc(c3)C(C)(C)C)O)CCCCCCCCCCCC
SPLASH splash10-0a5c-0000900000-a1d856e16f832febedb1
Source of Spectrum O-25-420-2
Synonyms 4,16-di(dodecyl)-10,22-dihydroxy-1,4,7,13,16,19-hexaaza-bis(p-t-butylbenzo)[1,2,6-ij], [1',2',3'-uv]tetracosa-7,9,12,19,22,24-hexaene
Wiley ID 1417922