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1,15-Diazatricyclo[13.13.4.2(29,32)]tetratriaconta-29,31,33-triene, 30,33-dimethoxy-31,34-bis(13,13,13-triphenyltridecyl)-
SpectraBase Compound ID 7qhhfdSSVAj
InChI InChI=1S/C96H136N2O2/c1-99-93-89(75-55-29-21-13-5-7-15-23-31-57-77-95(83-63-43-37-44-64-83,84-65-45-38-46-66-84)85-67-47-39-48-68-85)92-94(100-2)90(91(93)97-79-59-33-25-17-9-3-11-19-27-35-61-81-98(92)82-62-36-28-20-12-4-10-18-26-34-60-80-97)76-56-30-22-14-6-8-16-24-32-58-78-96(86-69-49-40-50-70-86,87-71-51-41-52-72-87)88-73-53-42-54-74-88/h37-54,63-74H,3-36,55-62,75-82H2,1-2H3
InChIKey QGZVFKSYKZGAMK-UHFFFAOYSA-N
Mol Weight 1350.2 g/mol
Molecular Formula C96H136N2O2
Exact Mass 1349.060182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8k6CRWmhCU
Name 1,15-Diazatricyclo[13.13.4.2(29,32)]tetratriaconta-29,31,33-triene, 30,33-dimethoxy-31,34-bis(13,13,13-triphenyltridecyl)-
CAS Registry Number 77798-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C96H136N2O2
InChI InChI=1S/C96H136N2O2/c1-99-93-89(75-55-29-21-13-5-7-15-23-31-57-77-95(83-63-43-37-44-64-83,84-65-45-38-46-66-84)85-67-47-39-48-68-85)92-94(100-2)90(91(93)97-79-59-33-25-17-9-3-11-19-27-35-61-81-98(92)82-62-36-28-20-12-4-10-18-26-34-60-80-97)76-56-30-22-14-6-8-16-24-32-58-78-96(86-69-49-40-50-70-86,87-71-51-41-52-72-87)88-73-53-42-54-74-88/h37-54,63-74H,3-36,55-62,75-82H2,1-2H3
InChIKey QGZVFKSYKZGAMK-UHFFFAOYSA-N
Molecular Weight 1350.156 g/mol
SMILES c1(c2c(OC)c(c(c1OC)N1CCCCCCCCCCCCCN2CCCCCCCCCCCCC1)CCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0f6t-0009000000-75230de960700e274dc2
Source of Spectrum K-114-887-0
Synonyms 30,33-dimethoxy-31,34-bis(13,13,13-triphenyltridecyl)-1,15-diazatricyclo[13.13.4.2(29,32)]tetratriaconta-29,31,33-triene 31,34-Dimethoxy-30,33-bis(13,13,13-triphenyltridecyl)-1,15-diazatricyclo[13.13.4.2(29,32)]tetratriaconta-29,31,33-triene
Wiley ID 1418803