![SYN-4,SYN-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](/api/spectrum/J7nzGSj6SHV/structure.png?h=300&w=458 "SYN-4,SYN-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")
| SpectraBase Compound ID | EQFRTmYwJLD |
|---|---|
| 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)/t3?,4?,5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15-,16+,19?,20?,21?,22? |
| InChIKey | ITKHLVKKQDKCTP-VDEKTQTLSA-N |
| Mol Weight | 428.46 g/mol |
| Molecular Formula | C22H20N8O2 |
| Exact Mass | 428.170922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7nzGSj6SHV |
|---|---|
| Name | SYN-4,SYN-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 |
| CAS Registry Number | 140855-32-9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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)/t3?,4?,5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15-,16+,19?,20?,21?,22? |
| InChIKey | ITKHLVKKQDKCTP-VDEKTQTLSA-N |
| Literature Reference Author | W.D.FESSNER,B.A.R.C.MURTY,P.R.SPURR,R.PINKOS,J.P.MELDER,H.FR ITZ,H.PRINZBACH |
| Literature Reference Citation | CHEM.BER.,125,1697(1992) |
| Literature Reference DOI | 10.1002/cber.19921250727 |
| Molecular Weight | 428.453 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS8507 |