![(14Z,14'Z,16E,16'E)-2,2',6,6'-tetraoxa-13,13',14,14',16,16',17,17'-octaaza-4,4'-spirobi[tricyclo[16.4.0.0(7,12)]docosane]-1(18),1'(18'),7,7',9,9',11,11',14,14',16,16',19,19',21,21'-hexadecaene-15,15'-dicarbonitrile](/api/spectrum/9lFmwdyww5H/structure.png?h=300&w=458 "(14Z,14'Z,16E,16'E)-2,2',6,6'-tetraoxa-13,13',14,14',16,16',17,17'-octaaza-4,4'-spirobi[tricyclo[16.4.0.0(7,12)]docosane]-1(18),1'(18'),7,7',9,9',11,11',14,14',16,16',19,19',21,21'-hexadecaene-15,15'-dicarbonitrile")
| SpectraBase Compound ID | FwOl4ZbtZCf |
|---|---|
| InChI | InChI=1S/C33H26N10O4/c34-17-31-40-36-23-9-1-5-13-27(23)44-19-33(20-45-28-14-6-2-10-24(28)37-41-31)21-46-29-15-7-3-11-25(29)38-42-32(18-35)43-39-26-12-4-8-16-30(26)47-22-33/h1-16,36,38H,19-22H2/b40-31-,41-37+,42-32-,43-39+ |
| InChIKey | BLMVFRWECNRWAA-LAOIJFFISA-N |
| Mol Weight | 626.6 g/mol |
| Molecular Formula | C33H26N10O4 |
| Exact Mass | 626.213849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9lFmwdyww5H |
|---|---|
| Name | (14Z,14'Z,16E,16'E)-2,2',6,6'-tetraoxa-13,13',14,14',16,16',17,17'-octaaza-4,4'-spirobi[tricyclo[16.4.0.0(7,12)]docosane]-1(18),1'(18'),7,7',9,9',11,11',14,14',16,16',19,19',21,21'-hexadecaene-15,15'-dicarbonitrile |
| Appearance | Deep red crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H26N10O4 |
| InChI | InChI=1S/C33H26N10O4/c34-17-31-40-36-23-9-1-5-13-27(23)44-19-33(20-45-28-14-6-2-10-24(28)37-41-31)21-46-29-15-7-3-11-25(29)38-42-32(18-35)43-39-26-12-4-8-16-30(26)47-22-33/h1-16,36,38H,19-22H2/b40-31-,41-37+,42-32-,43-39+ |
| InChIKey | BLMVFRWECNRWAA-LAOIJFFISA-N |
| Instrument Name | GC MS-QP1000 EX or MS 5988 |
| Ionization Type | EI |
| Literature Reference DOI | 10.3998/ark.5550190.0010.a07 |
| Molecular Weight | 626.637 g/mol |
| SMILES | N1c2c(OCC3(COc4c(\N=N\C(=N/Nc5ccccc5OC3)C#N)cccc4)COc3c(\N=N\C(=N/1)C#N)cccc3)cccc2 |
| SPLASH | splash10-00di-0902093000-df1b5d44f7f636b31dfc |
| Source of Spectrum | ARK-2009-69-7b |
| Thin-Layer Chromatography | Rf = 0.48 (CH2Cl2) |
| Wiley ID | 1869592 |