| SpectraBase Compound ID | 70aOXEQLVZJ |
|---|---|
| InChI | InChI=1S/C27H34N2O4/c1-4-5-26-25-12-8-20-16-22(32-3)11-13-23(20)24(25)14-15-27(26,2)18-28-33-17-19-6-9-21(10-7-19)29(30)31/h6-7,9-11,13,16,18,24-26H,4-5,8,12,14-15,17H2,1-3H3/b28-18+/t24-,25-,26?,27-/m1/s1 |
| InChIKey | GNDBQXVWVAQSAR-ZUJXMRSFSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C27H34N2O4 |
| Exact Mass | 450.251858 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A7DKZluxF62 |
|---|---|
| Name | 16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-Oxime-4'-Nitrobenzyl Ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34N2O4 |
| InChI | InChI=1S/C27H34N2O4/c1-4-5-26-25-12-8-20-16-22(32-3)11-13-23(20)24(25)14-15-27(26,2)18-28-33-17-19-6-9-21(10-7-19)29(30)31/h6-7,9-11,13,16,18,24-26H,4-5,8,12,14-15,17H2,1-3H3/b28-18+/t24-,25-,26?,27-/m1/s1 |
| InChIKey | GNDBQXVWVAQSAR-ZUJXMRSFSA-N |
| Molecular Weight | 450.579 g/mol |
| SMILES | c1(N(=O)=O)ccc(cc1)CO\N=C\[C@@]1(C([C@@]2(CCc3c([C@]2(CC1)[H])ccc(OC)c3)[H])CCC)C |
| SPLASH | splash10-03dj-0981000000-b8ff6863056db2a2e247 |
| Source of Spectrum | U1-2009-3551-28c |
| Wiley ID | 1714168 |