| SpectraBase Compound ID | 9hFVctfmVe |
|---|---|
| InChI | InChI=1S/C27H34N2O4/c1-27-13-12-19-18-9-7-17(28-29-26(33)21-4-2-3-5-24(21)31)14-16(18)6-8-20(19)22(27)10-11-23(27)25(32)15-30/h2-5,14,18-20,22-23,30-31H,6-13,15H2,1H3,(H,29,33)/b28-17-/t18-,19+,20+,22-,23?,27-/m0/s1 |
| InChIKey | CKEAMNGAJXUYDN-RSCSVIEJSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C27H34N2O4 |
| Exact Mass | 450.251858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6zL3sRpgNI7 |
|---|---|
| Name | 17-(2-Hydroxy-1-oxoethyl)-3-salicyloylhydrazono-4-estrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.251857579 u |
| Formula | C27H34N2O4 |
| InChI | InChI=1S/C27H34N2O4/c1-27-13-12-19-18-9-7-17(28-29-26(33)21-4-2-3-5-24(21)31)14-16(18)6-8-20(19)22(27)10-11-23(27)25(32)15-30/h2-5,14,18-20,22-23,30-31H,6-13,15H2,1H3,(H,29,33)/b28-17-/t18-,19+,20+,22-,23?,27-/m0/s1 |
| InChIKey | CKEAMNGAJXUYDN-RSCSVIEJSA-N |
| Molecular Weight | 450.579 g/mol |
| SMILES | C1\C(C=C2[C@](C1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(CC2)C(=O)CO)C)[H])[H])[H])[H])=N\NC(C=1C(=CC=CC1)O)=O |