| SpectraBase Compound ID | CuZXqvOK9OC |
|---|---|
| InChI | InChI=1S/C20H18O2Si/c1-23(2,3)22-20(21)17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3 |
| InChIKey | RMPRYMBTRDEUON-UHFFFAOYSA-N |
| Mol Weight | 318.45 g/mol |
| Molecular Formula | C20H18O2Si |
| Exact Mass | 318.107606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaKM0UpV6o2 |
|---|---|
| Name | 1-Pyrenecarboxylic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107606353 u |
| Formula | C20H18O2Si |
| InChI | InChI=1S/C20H18O2Si/c1-23(2,3)22-20(21)17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3 |
| InChIKey | RMPRYMBTRDEUON-UHFFFAOYSA-N |
| Molecular Weight | 318.447 g/mol |
| SMILES | C1(=CC=C2C=CC3=CC=CC=4C3=C2C1=CC4)C(=O)O[Si](C)(C)C |