| SpectraBase Compound ID | GPaVCvo4xJU |
|---|---|
| InChI | InChI=1S/C27H32N2O3/c1-26-13-12-19(30)14-17(26)8-9-20-21-10-11-22(27(21,2)15-23(31)25(20)26)24(32)16-28-29-18-6-4-3-5-7-18/h3-7,14,16,20-22,25,29H,8-13,15H2,1-2H3/b28-16+/t20-,21-,22+,25+,26-,27-/m0/s1 |
| InChIKey | IQANMRRWKRANOA-XSLMCCSRSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H32N2O3 |
| Exact Mass | 432.241293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2r9R90aifzz |
|---|---|
| Name | 3,11,20-Trioxopregn-4-en-21-al, 21-(phenylhydrazone) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.241292895 u |
| Formula | C27H32N2O3 |
| InChI | InChI=1S/C27H32N2O3/c1-26-13-12-19(30)14-17(26)8-9-20-21-10-11-22(27(21,2)15-23(31)25(20)26)24(32)16-28-29-18-6-4-3-5-7-18/h3-7,14,16,20-22,25,29H,8-13,15H2,1-2H3/b28-16+/t20-,21-,22+,25+,26-,27-/m0/s1 |
| InChIKey | IQANMRRWKRANOA-XSLMCCSRSA-N |
| Molecular Weight | 432.564 g/mol |
| SMILES | N(\N=C\C([C@]1(CC[C@@]2([C@@]1(CC([C@]1([C@]2(CCC=2[C@@]1(CCC(C2)=O)C)[H])[H])=O)C)[H])[H])=O)C=1C=CC=CC1 |