| SpectraBase Compound ID | 9N8uUuik8tN |
|---|---|
| InChI | InChI=1S/C19H13F5O4/c1-26-12-7-5-10-3-4-11-6-8-14(27-2)16(15(11)13(10)9-12)28-17(25)18(20,21)19(22,23)24/h3-9H,1-2H3 |
| InChIKey | MACHYJPBOFJABP-UHFFFAOYSA-N |
| Mol Weight | 400.3 g/mol |
| Molecular Formula | C19H13F5O4 |
| Exact Mass | 400.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ttxeZT78lS |
|---|---|
| Name | Thebaol, N-(pentafluoropropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.073399710 u |
| Formula | C19H13F5O4 |
| InChI | InChI=1S/C19H13F5O4/c1-26-12-7-5-10-3-4-11-6-8-14(27-2)16(15(11)13(10)9-12)28-17(25)18(20,21)19(22,23)24/h3-9H,1-2H3 |
| InChIKey | MACHYJPBOFJABP-UHFFFAOYSA-N |
| Molecular Weight | 400.301 g/mol |
| SMILES | C1(OC(C(F)(F)C(F)(F)F)=O)=C2C3=C(C=CC2=CC=C1OC)C=CC(=C3)OC |