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sin-4,syn-9-bis[(Azidocarbonyl)amino]undecacyclo[9,9,0.0(1,5).0(2,12).0(2,18).0(2,7)0(6,10).0(8,12)0(11,15).0(13,17)0(16,20)]icosane.

View entire compound with spectra: 1 MS (GC)

sin-4,syn-9-bis[(Azidocarbonyl)amino]undecacyclo[9,9,0.0(1,5).0(2,12).0(2,18).0(2,7)0(6,10).0(8,12)0(11,15).0(13,17)0(16,20)]icosane.
SpectraBase Compound ID KR1HVv6j0lw
InChI InChI=1S/C22H20N8O2/c23-29-27-17(31)25-15-11-9-10-12(15)20-4-1-3-7-5-2-6(8(4)7)22(20)14(10)16(26-18(32)28-30-24)13(9)21(5,22)19(3,11)20/h3-16H,1-2H2,(H,25,31)(H,26,32)
InChIKey ITKHLVKKQDKCTP-UHFFFAOYSA-N
Mol Weight 428.46 g/mol
Molecular Formula C22H20N8O2
Exact Mass 428.170922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoJ7uLs7Pnh
Name sin-4,syn-9-bis[(Azidocarbonyl)amino]undecacyclo[9,9,0.0(1,5).0(2,12).0(2,18).0(2,7)0(6,10).0(8,12)0(11,15).0(13,17)0(16,20)]icosane.
CAS Registry Number 140855-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N8O2
InChI InChI=1S/C22H20N8O2/c23-29-27-17(31)25-15-11-9-10-12(15)20-4-1-3-7-5-2-6(8(4)7)22(20)14(10)16(26-18(32)28-30-24)13(9)21(5,22)19(3,11)20/h3-16H,1-2H2,(H,25,31)(H,26,32)
InChIKey ITKHLVKKQDKCTP-UHFFFAOYSA-N
Molecular Weight 428.456 g/mol
SMILES N(C(N=[N+]=[N-])=O)C1C2C34C56C7C(C8C66C4(C1C8C27)C1C2C(C5CC62)C3C1)NC(N=[N+]=[N-])=O
SPLASH splash10-0006-9004000000-b9f3822c2570a71a7da1
Source of Spectrum K-125-1714-73
Synonyms 4,9-bis[(azidocarbonyl)amino]undecacyclo[9.9.0.0(1,5).0(2,12).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane
Wiley ID 1380620