| SpectraBase Compound ID | HtTd6LT0REr |
|---|---|
| InChI | InChI=1S/C17H21F3O4/c1-2-3-4-11-23-15(21)9-10-16(22)24-12-13-5-7-14(8-6-13)17(18,19)20/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | ARERYKZCOQUFSZ-UHFFFAOYSA-N |
| Mol Weight | 346.35 g/mol |
| Molecular Formula | C17H21F3O4 |
| Exact Mass | 346.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSo6R5VDWqy |
|---|---|
| Name | Succinic acid, pentyl 4-trifluoromethylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.139193641 u |
| Formula | C17H21F3O4 |
| InChI | InChI=1S/C17H21F3O4/c1-2-3-4-11-23-15(21)9-10-16(22)24-12-13-5-7-14(8-6-13)17(18,19)20/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | ARERYKZCOQUFSZ-UHFFFAOYSA-N |
| Molecular Weight | 346.346 g/mol |
| SMILES | C(C1=CC=C(COC(=O)CCC(OCCCCC)=O)C=C1)(F)(F)F |