| SpectraBase Compound ID | BLt1kdH3QQp |
|---|---|
| InChI | InChI=1S/C21H28N2O6/c1-12(2)17-15(22(25)26)11-14-13(18(17)23(27)28)7-8-16-20(14,3)9-6-10-21(16,4)19(24)29-5/h11-12,16H,6-10H2,1-5H3 |
| InChIKey | KWPWEUJMWSMPDU-UHFFFAOYSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C21H28N2O6 |
| Exact Mass | 404.194737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LeSXKXZIfOA |
|---|---|
| Name | 1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4a,9,10,10a-OCTAHYDRO-1,4a,-DIMETHYL-7-(1-METHYLETHYL)-6,8-DINITRO- METHYL ESTER, |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H28N2O6 |
| InChI | InChI=1S/C21H28N2O6/c1-12(2)17-15(22(25)26)11-14-13(18(17)23(27)28)7-8-16-20(14,3)9-6-10-21(16,4)19(24)29-5/h11-12,16H,6-10H2,1-5H3 |
| InChIKey | KWPWEUJMWSMPDU-UHFFFAOYSA-N |
| Instrument Name | GE QE-300 |
| NMR Standard | TMS |
| Solvent | CDCl3 |