| SpectraBase Compound ID | I3RHyB9CnWY |
|---|---|
| InChI | InChI=1S/C24H27N5O6/c1-3-35-24(30)22(20-12-8-5-9-15-27(20)2)23(17-10-6-4-7-11-17)26-25-19-14-13-18(28(31)32)16-21(19)29(33)34/h4,6-7,10-11,13-14,16,25H,3,5,8-9,12,15H2,1-2H3/b22-20+,26-23+ |
| InChIKey | QTBWDGSANUIZRM-QWVHCNFLSA-N |
| Mol Weight | 481.51 g/mol |
| Molecular Formula | C24H27N5O6 |
| Exact Mass | 481.196134 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NFO25JuBvd |
|---|---|
| Name | Ethyl 3-phenyl-3-(2'',4''-dinitrophenylhydrazono)-2-(1'-methyl-hexahydro-1'-azepin-2'-ylidene)propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 481.196133603 u |
| Formula | C24H27N5O6 |
| InChI | InChI=1S/C24H27N5O6/c1-3-35-24(30)22(20-12-8-5-9-15-27(20)2)23(17-10-6-4-7-11-17)26-25-19-14-13-18(28(31)32)16-21(19)29(33)34/h4,6-7,10-11,13-14,16,25H,3,5,8-9,12,15H2,1-2H3/b22-20+,26-23+ |
| InChIKey | QTBWDGSANUIZRM-QWVHCNFLSA-N |
| Molecular Weight | 481.509 g/mol |
| SMILES | CN1\C(=C/(\C(=N\NC=2C(N(=O)=O)=CC(N(=O)=O)=CC2)C2=CC=CC=C2)C(=O)OCC)CCCCC1 |