![3-[5-(4-Chlorophenyl)-2-furyl]propanoic acid, tms derivative](/api/spectrum/6k8xemvVtc4/structure.png?h=300&w=458 "3-[5-(4-Chlorophenyl)-2-furyl]propanoic acid, tms derivative")
| SpectraBase Compound ID | 7jTPB8U7hZf |
|---|---|
| InChI | InChI=1S/C16H19ClO3Si/c1-21(2,3)20-16(18)11-9-14-8-10-15(19-14)12-4-6-13(17)7-5-12/h4-8,10H,9,11H2,1-3H3 |
| InChIKey | XMFDHRAAJJZQDG-UHFFFAOYSA-N |
| Mol Weight | 322.86 g/mol |
| Molecular Formula | C16H19ClO3Si |
| Exact Mass | 322.079199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6k8xemvVtc4 |
|---|---|
| Name | 3-[5-(4-Chlorophenyl)-2-furyl]propanoic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.079198704 u |
| Formula | C16H19ClO3Si |
| InChI | InChI=1S/C16H19ClO3Si/c1-21(2,3)20-16(18)11-9-14-8-10-15(19-14)12-4-6-13(17)7-5-12/h4-8,10H,9,11H2,1-3H3 |
| InChIKey | XMFDHRAAJJZQDG-UHFFFAOYSA-N |
| Molecular Weight | 322.863 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C=1OC(=CC1)CCC(=O)O[Si](C)(C)C |