| SpectraBase Compound ID | 6pHi8l8XiLU |
|---|---|
| InChI | InChI=1S/C16H17NO5Si/c1-23(2,3)22-16(18)12-7-9-14(10-8-12)21-15-6-4-5-13(11-15)17(19)20/h4-11H,1-3H3 |
| InChIKey | MSUUPKDDUZDKKN-UHFFFAOYSA-N |
| Mol Weight | 331.4 g/mol |
| Molecular Formula | C16H17NO5Si |
| Exact Mass | 331.087599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpqUQAUyuhC |
|---|---|
| Name | 4-(3-Nitrophenoxy)benzoic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.087599181 u |
| Formula | C16H17NO5Si |
| InChI | InChI=1S/C16H17NO5Si/c1-23(2,3)22-16(18)12-7-9-14(10-8-12)21-15-6-4-5-13(11-15)17(19)20/h4-11H,1-3H3 |
| InChIKey | MSUUPKDDUZDKKN-UHFFFAOYSA-N |
| Molecular Weight | 331.399 g/mol |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)OC1=CC=C(C=C1)C(=O)O[Si](C)(C)C |