| SpectraBase Compound ID | HzVPEVniIT6 |
|---|---|
| InChI | InChI=1S/C18H25F3O2/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)23-17(22)18(19,20)21/h11-14H,2-10H2,1H3 |
| InChIKey | VMWNGZAMSFGNRW-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C18H25F3O2 |
| Exact Mass | 330.180665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsGm5rOuVAh |
|---|---|
| Name | 4-N-Decylphenol, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.180664532 u |
| Formula | C18H25F3O2 |
| InChI | InChI=1S/C18H25F3O2/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)23-17(22)18(19,20)21/h11-14H,2-10H2,1H3 |
| InChIKey | VMWNGZAMSFGNRW-UHFFFAOYSA-N |
| Molecular Weight | 330.391 g/mol |
| SMILES | C1=CC(=CC=C1OC(C(F)(F)F)=O)CCCCCCCCCC |