![5H,23H,17H,36H-15,16,33,34-tetrahydrotetrabenzo[b,i,p,w][1,11,15,25,4,5,7,8,18,19,21,22]tetraoxaoctaazacyclooctacosine-7,25-dicarbonitrile](/api/spectrum/7m6sNZXHXQJ/structure.png?h=300&w=458 "5H,23H,17H,36H-15,16,33,34-tetrahydrotetrabenzo[b,i,p,w][1,11,15,25,4,5,7,8,18,19,21,22]tetraoxaoctaazacyclooctacosine-7,25-dicarbonitrile")
| SpectraBase Compound ID | Ibg0dS5lDgW |
|---|---|
| InChI | InChI=1S/C34H30N10O4/c35-23-33-41-37-25-11-1-5-15-29(25)45-19-9-20-46-31-17-7-3-13-27(31)39-43-34(24-36)44-40-28-14-4-8-18-32(28)48-22-10-21-47-30-16-6-2-12-26(30)38-42-33/h1-8,11-18,37,40H,9-10,19-22H2/b41-33-,42-38-,43-39-,44-34- |
| InChIKey | XBFDIGFTLXVAHY-MXTQQVHOSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C34H30N10O4 |
| Exact Mass | 642.245149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7m6sNZXHXQJ |
|---|---|
| Name | 5H,23H,17H,36H-15,16,33,34-Tetrahydrotetrabenzo[B,I,p,W][1,11,15,25,4,5,7,8,18,19,21,22]tetraoxaoctaazacyclooctacosine-7,25-dicarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 642.245149482 u |
| Formula | C34H30N10O4 |
| InChI | InChI=1S/C34H30N10O4/c35-23-33-41-37-25-11-1-5-15-29(25)45-19-9-20-46-31-17-7-3-13-27(31)39-43-34(24-36)44-40-28-14-4-8-18-32(28)48-22-10-21-47-30-16-6-2-12-26(30)38-42-33/h1-8,11-18,37,40H,9-10,19-22H2/b41-33-,42-38-,43-39-,44-34- |
| InChIKey | XBFDIGFTLXVAHY-MXTQQVHOSA-N |
| Molecular Weight | 642.680 g/mol |
| SMILES | C=12\N=N/C(=N\NC=3C(OCCCOC=4C(\N=N/C(=N\NC=5C(OCCCOC2=CC=CC1)=CC=CC5)C#N)=CC=CC4)=CC=CC3)C#N |