| SpectraBase Compound ID | IC5lfdYeMz3 |
|---|---|
| InChI | InChI=1S/C46H28F6N4/c47-45(48,49)41-42(46(50,51)52)44-40(30-19-11-4-12-20-30)36-26-24-34(55-36)38(28-15-7-2-8-16-28)32-22-21-31(53-32)37(27-13-5-1-6-14-27)33-23-25-35(54-33)39(43(41)56-44)29-17-9-3-10-18-29/h1-26,54-55H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40- |
| InChIKey | UVDRUVUZGZSJFC-RBYGIERKSA-N |
| Mol Weight | 750.7 g/mol |
| Molecular Formula | C46H28F6N4 |
| Exact Mass | 750.221816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jsPpsrD08b |
|---|---|
| Name | beta-bis-(Trifluoromethyl)-meso-tetraphenyl-porphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 750.221815896 u |
| Formula | C46H28F6N4 |
| InChI | InChI=1S/C46H28F6N4/c47-45(48,49)41-42(46(50,51)52)44-40(30-19-11-4-12-20-30)36-26-24-34(55-36)38(28-15-7-2-8-16-28)32-22-21-31(53-32)37(27-13-5-1-6-14-27)33-23-25-35(54-33)39(43(41)56-44)29-17-9-3-10-18-29/h1-26,54-55H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40- |
| InChIKey | UVDRUVUZGZSJFC-RBYGIERKSA-N |
| Molecular Weight | 750.748 g/mol |
| SMILES | C1=2NC(C=C1)=C(C=1C(C(F)(F)F)=C(C(F)(F)F)C(N1)=C(C1=CC=C(N1)C(=C1C=CC(=N1)C2C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |