| SpectraBase Compound ID | 1dwi92L9Pcc |
|---|---|
| InChI | InChI=1S/C48H40N4/c1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33/h5-27,29,49,52H,3-4,28,30H2,1-2H3/b43-37-,43-39-,44-38-,44-40-,45-41-,46-42-,47-45-,48-46- |
| InChIKey | HJQGFYNHFBJWPS-CTAIZXMJSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C48H40N4 |
| Exact Mass | 672.325297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcX2iSwPsyU |
|---|---|
| Name | 7,8-Diethyl-5,10,15,20-tetraphenylchlorin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 672.325297304 u |
| Formula | C48H40N4 |
| InChI | InChI=1S/C48H40N4/c1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33/h5-27,29,49,52H,3-4,28,30H2,1-2H3/b43-37-,43-39-,44-38-,44-40-,45-41-,46-42-,47-45-,48-46- |
| InChIKey | HJQGFYNHFBJWPS-CTAIZXMJSA-N |
| SMILES | C1=2NC(C(=C3N=C(C(C=4C=CC=CC4)=C4NC(=C(C5=NC(=C1C1=CC=CC=C1)CC5)C1=CC=CC=C1)C=C4)C=C3)C=1C=CC=CC1)=C(C2CC)CC |