| SpectraBase Compound ID | 5STc9LOiXvT |
|---|---|
| InChI | InChI=1S/C15H13F7O4/c16-13(17,14(18,19)15(20,21)22)12(24)25-8-4-7-11(23)26-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | JRUTUIXUZXGASD-UHFFFAOYSA-N |
| Mol Weight | 390.25 g/mol |
| Molecular Formula | C15H13F7O4 |
| Exact Mass | 390.070206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jtc27F4q51I |
|---|---|
| Name | Gamma-hydroxybutyric acid benzylester hfb |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.070206036 u |
| Formula | C15H13F7O4 |
| InChI | InChI=1S/C15H13F7O4/c16-13(17,14(18,19)15(20,21)22)12(24)25-8-4-7-11(23)26-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | JRUTUIXUZXGASD-UHFFFAOYSA-N |
| Molecular Weight | 390.254 g/mol |
| SMILES | C(C(C(F)(F)F)(F)F)(C(OCCCC(OCC=1C=CC=CC1)=O)=O)(F)F |