![(2Z,N'E)-2-cyano-N'-(2-hydroxy-5-methoxybenzylidene)-2-(6-methoxy-3-nitro-2-[octylamino]-4H-chromen-4-ylidene)acetohydrazide](/api/spectrum/9UoNmsS322p/structure.png?h=300&w=458 "(2Z,N'E)-2-cyano-N'-(2-hydroxy-5-methoxybenzylidene)-2-(6-methoxy-3-nitro-2-[octylamino]-4H-chromen-4-ylidene)acetohydrazide")
| SpectraBase Compound ID | HV5QzOI6N7K |
|---|---|
| InChI | InChI=1S/C29H33N5O7/c1-4-5-6-7-8-9-14-31-29-27(34(37)38)26(22-16-21(40-3)11-13-25(22)41-29)23(17-30)28(36)33-32-18-19-15-20(39-2)10-12-24(19)35/h10-13,15-16,18,31,35H,4-9,14H2,1-3H3,(H,33,36)/b26-23-,32-18+ |
| InChIKey | DBBHYQXOFBZYHL-UCIMRVAXSA-N |
| Mol Weight | 563.6 g/mol |
| Molecular Formula | C29H33N5O7 |
| Exact Mass | 563.237998 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9UoNmsS322p |
|---|---|
| Name | (2Z,N'E)-2-cyano-N'-(2-hydroxy-5-methoxybenzylidene)-2-(6-methoxy-3-nitro-2-[octylamino]-4H-chromen-4-ylidene)acetohydrazide |
| Appearance | Yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H33N5O7 |
| InChI | InChI=1S/C29H33N5O7/c1-4-5-6-7-8-9-14-31-29-27(34(37)38)26(22-16-21(40-3)11-13-25(22)41-29)23(17-30)28(36)33-32-18-19-15-20(39-2)10-12-24(19)35/h10-13,15-16,18,31,35H,4-9,14H2,1-3H3,(H,33,36)/b26-23-,32-18+ |
| InChIKey | DBBHYQXOFBZYHL-UCIMRVAXSA-N |
| Instrument Name | Agilent 5975C VL MSD |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.4322 |
| Molecular Weight | 563.611 g/mol |
| SMILES | N(C(\C(=C/1C(=C(Oc2c1cc(cc2)OC)NCCCCCCCC)[N+](=O)[O-])C#N)=O)\N=C\c1c(ccc(c1)OC)O |
| SPLASH | splash10-0fbi-1591200000-0f70ed2ccdfee5b68bb5 |
| Source of Spectrum | Y-58-SM28-5e |
| Wiley ID | 1880871 |