| SpectraBase Compound ID | 2axmSaHCcxX |
|---|---|
| InChI | InChI=1S/C19H23F5O4/c1-2-11-27-12(25)9-7-5-3-4-6-8-10-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h2-11H2,1H3 |
| InChIKey | ZOPBKBKUMPEZSD-UHFFFAOYSA-N |
| Mol Weight | 410.38 g/mol |
| Molecular Formula | C19H23F5O4 |
| Exact Mass | 410.15165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1SE319R1KVi |
|---|---|
| Name | Sebacic acid, pentafluorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.151650032 u |
| Formula | C19H23F5O4 |
| InChI | InChI=1S/C19H23F5O4/c1-2-11-27-12(25)9-7-5-3-4-6-8-10-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h2-11H2,1H3 |
| InChIKey | ZOPBKBKUMPEZSD-UHFFFAOYSA-N |
| Molecular Weight | 410.381 g/mol |
| SMILES | C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OCCC)=O |