| SpectraBase Compound ID | Cwp9iGc1WdU |
|---|---|
| InChI | InChI=1S/C28H42N6O4Si/c1-7-9-22-25-26(32(3)31-22)28(36)30-27(29-25)21-18-20(10-11-24(21)37-8-2)23(35)19-34-14-12-33(13-15-34)16-17-38-39(4,5)6/h10-11,18H,7-9,12-17,19H2,1-6H3,(H,29,30,36) |
| InChIKey | XKKSEPXUMCIKAA-UHFFFAOYSA-N |
| Mol Weight | 554.8 g/mol |
| Molecular Formula | C28H42N6O4Si |
| Exact Mass | 554.30368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vRFBwJshk4 |
|---|---|
| Name | Hydroxyacetildenafil tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 554.303680387 u |
| Formula | C28H42N6O4Si |
| InChI | InChI=1S/C28H42N6O4Si/c1-7-9-22-25-26(32(3)31-22)28(36)30-27(29-25)21-18-20(10-11-24(21)37-8-2)23(35)19-34-14-12-33(13-15-34)16-17-38-39(4,5)6/h10-11,18H,7-9,12-17,19H2,1-6H3,(H,29,30,36) |
| InChIKey | XKKSEPXUMCIKAA-UHFFFAOYSA-N |
| Molecular Weight | 554.767 g/mol |
| SMILES | C12=C(N=C(C=3C(=CC=C(C3)C(CN3CCN(CC3)CCO[Si](C)(C)C)=O)OCC)NC2=O)C(=NN1C)CCC |