| SpectraBase Compound ID | IAehlFjGfnh |
|---|---|
| InChI | InChI=1S/C24H35NO2Si/c1-7-24(26)15-12-21-19-9-8-17-16-18(25-27-28(4,5)6)10-13-22(17,2)20(19)11-14-23(21,24)3/h1,8-9,16,19-21,26H,10-15H2,2-6H3/b25-18+/t19-,20+,21+,22+,23+,24+/m1/s1 |
| InChIKey | AIJZOPFFSGXDCE-XJKAJKEFSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C24H35NO2Si |
| Exact Mass | 397.243706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KcNJOjXpeJ |
|---|---|
| Name | 17.alpha.-Ethynyl-17.beta.-hydroxy-4,6-estradien-3-one-methyloxime-tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.243705904 u |
| Formula | C24H35NO2Si |
| InChI | InChI=1S/C24H35NO2Si/c1-7-24(26)15-12-21-19-9-8-17-16-18(25-27-28(4,5)6)10-13-22(17,2)20(19)11-14-23(21,24)3/h1,8-9,16,19-21,26H,10-15H2,2-6H3/b25-18+/t19-,20+,21+,22+,23+,24+/m1/s1 |
| InChIKey | AIJZOPFFSGXDCE-XJKAJKEFSA-N |
| Molecular Weight | 397.634 g/mol |
| SMILES | C1\C(C=C2[C@](C1)([C@@]1([C@@](C=C2)([C@]2([C@](CC1)([C@](CC2)(O)C#C)C)[H])[H])[H])C)=N/O[Si](C)(C)C |