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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, 6,20-didodecyl-13,27-dimethyl-
SpectraBase Compound ID CjfOKQsv1dv
InChI InChI=1S/C50H82N6O2/c1-5-7-9-11-13-15-17-19-21-23-29-55-31-25-51-39-45-35-43(3)37-47(49(45)57)41-53-27-33-56(30-24-22-20-18-16-14-12-10-8-6-2)34-28-54-42-48-38-44(4)36-46(50(48)58)40-52-26-32-55/h35-42,57-58H,5-34H2,1-4H3/b51-39-,52-40-,53-41-,54-42-
InChIKey BFVWBJOTFOQHTM-LNBSLCDOSA-N
Mol Weight 799.2 g/mol
Molecular Formula C50H82N6O2
Exact Mass 798.649926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R1upsSB9kY
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, 6,20-didodecyl-13,27-dimethyl-
CAS Registry Number 130604-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H82N6O2
InChI InChI=1S/C50H82N6O2/c1-5-7-9-11-13-15-17-19-21-23-29-55-31-25-51-39-45-35-43(3)37-47(49(45)57)41-53-27-33-56(30-24-22-20-18-16-14-12-10-8-6-2)34-28-54-42-48-38-44(4)36-46(50(48)58)40-52-26-32-55/h35-42,57-58H,5-34H2,1-4H3/b51-39-,52-40-,53-41-,54-42-
InChIKey BFVWBJOTFOQHTM-LNBSLCDOSA-N
Molecular Weight 799.246 g/mol
SMILES Oc1c2\C=N/CCN(CC\N=C/c3c(c(\C=N/CCN(CC\N=C/c1cc(c2)C)CCCCCCCCCCCC)cc(c3)C)O)CCCCCCCCCCCC
SPLASH splash10-01ow-0005901100-1991737a700a00de60b0
Source of Spectrum O-25-420-1
Synonyms 4,16-di(dodecyl)-10,22-dihydroxy-1,4,7,13,16,19-hexaaza-bis(p-methylbenzo)[1,2,6-ij]:[1',2',6'-vu]tetracosa-7,9,12,19,22,24-hexaene 6,20-didodecyl-13,27-dimethyl-3,6,9,17,20,23-hexaazatricyclo[23.3.1.1(11,15)]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene-29,30-diol
Wiley ID 1417156