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2,5,10,13,20,23,28,31-Octaazapentacyclo[30.4.0.0(14,19).2(6,9).2(24,27)]tetracontane-3,4,11,12,21,22, 29,30-octaone
SpectraBase Compound ID Lmh2XDxThlA
InChI InChI=1S/C32H48N8O8/c41-25-29(45)37-21-5-1-2-6-22(21)38-30(46)26(42)34-18-13-15-20(16-14-18)36-28(44)32(48)40-24-8-4-3-7-23(24)39-31(47)27(43)35-19-11-9-17(33-25)10-12-19/h17-24H,1-16H2,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,47)(H,40,48)
InChIKey QOIYCMBRLLLDNF-UHFFFAOYSA-N
Mol Weight 672.8 g/mol
Molecular Formula C32H48N8O8
Exact Mass 672.359511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JNanAEpfX2
Name 2,5,10,13,20,23,28,31-Octaazapentacyclo[30.4.0.0(14,19).2(6,9).2(24,27)]tetracontane-3,4,11,12,21,22, 29,30-octaone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H48N8O8
InChI InChI=1S/C32H48N8O8/c41-25-29(45)37-21-5-1-2-6-22(21)38-30(46)26(42)34-18-13-15-20(16-14-18)36-28(44)32(48)40-24-8-4-3-7-23(24)39-31(47)27(43)35-19-11-9-17(33-25)10-12-19/h17-24H,1-16H2,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,47)(H,40,48)
InChIKey QOIYCMBRLLLDNF-UHFFFAOYSA-N
Instrument Name Hewlett-Packard HP 5989A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.520
Molecular Weight 672.784 g/mol
SMILES N1C(C(NC2CCC(CC2)NC(C(NC2C(CCCC2)NC(C(NC2CCC(NC(C(NC3CCCCC13)=O)=O)CC2)=O)=O)=O)=O)=O)=O
SPLASH splash10-0a4m-9100000000-516884b10c8ca34460c2
Source of Spectrum ARK-2008-281-7
Wiley ID 1869494