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1,4,12,15,18,26,31,39-OCTAAZAPENTACYCLO[13.13.13.16,10.120,24.133,37]TETRATETRACONTA-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(

View entire compound with spectra: 1 MS (GC)

1,4,12,15,18,26,31,39-OCTAAZAPENTACYCLO[13.13.13.16,10.120,24.133,37]TETRATETRACONTA-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(
SpectraBase Compound ID Cg38aNeoL4B
InChI InChI=1S/C36H42N8/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44/h1-9,22-30H,10-21H2/b37-25+,38-26+,39-27?,40-28?,41-29?,42-30?
InChIKey DWOBKVVBXJKNBV-FJEXBSCISA-N
Mol Weight 586.8 g/mol
Molecular Formula C36H42N8
Exact Mass 586.353243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BGXeqUhg2W
Name 1,4,12,15,18,26,31,39-OCTAAZAPENTACYCLO[13.13.13.16,10.120,24.133,37]TETRATETRACONTA-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(
Alternate Name(s) 1,4,12,15,18,26,31,39-OCTAAZAPENTACYCLO[13.13.13.16,10.120,24.133,37]TETRATETRACONTA-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-PENTADECAENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H42N8
InChI InChI=1S/C36H42N8/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44/h1-9,22-30H,10-21H2/b37-25+,38-26+,39-27?,40-28?,41-29?,42-30?
InChIKey DWOBKVVBXJKNBV-FJEXBSCISA-N
Instrument Name 311A
Molecular Weight 586.3524
SMILES c1cc2\C=N\CCN3CCN=Cc4cccc(c4)C=NCCN(CCN=Cc4cccc(C=NCC3)c4)CC\N=C\c(c2)c1
SPLASH splash10-000l-7941130000-3d84264cd719e62d44c9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany