| SpectraBase Compound ID | LW5Gk56JAl9 |
|---|---|
| InChI | InChI=1S/C42H34N4/c1-2-3-4-5-22-34-41-32-20-12-10-18-30(32)39(45-41)24-37-28-16-8-6-14-26(28)35(43-37)23-36-27-15-7-9-17-29(27)38(44-36)25-40-31-19-11-13-21-33(31)42(34)46-40/h6-21,23-25,43,46H,2-5,22H2,1H3/b35-23-,36-23-,37-24-,38-25-,39-24-,40-25-,41-34-,42-34- |
| InChIKey | SAYNQYQGSQYGKI-HNNPUYEZSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C42H34N4 |
| Exact Mass | 594.278347 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4X65A4Yj6Fq |
|---|---|
| Name | 5-Hexyltetrabenzoporphyrin |
| Alternate Name(s) | 5-n-Hexyltetrabenzoporphyrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H34N4 |
| InChI | InChI=1S/C42H34N4/c1-2-3-4-5-22-34-41-32-20-12-10-18-30(32)39(45-41)24-37-28-16-8-6-14-26(28)35(43-37)23-36-27-15-7-9-17-29(27)38(44-36)25-40-31-19-11-13-21-33(31)42(34)46-40/h6-21,23-25,43,46H,2-5,22H2,1H3/b35-23-,36-23-,37-24-,38-25-,39-24-,40-25-,41-34-,42-34- |
| InChIKey | SAYNQYQGSQYGKI-HNNPUYEZSA-N |
| Molecular Weight | 594.762 g/mol |
| SMILES | [nH]1c-2cc-3nc(cc4[nH]c(c(c-5nc(cc1-c1c2cccc1)-c1c5cccc1)CCCCCC)c1c4cccc1)-c1c3cccc1 |
| SPLASH | splash10-00di-0010090000-40690fcd1fd587c056c2 |
| Source of Spectrum | O1-65-883-5 |
| Wiley ID | 1593101 |