| SpectraBase Compound ID | 2SlSB5Td78A |
|---|---|
| InChI | InChI=1S/C33H32N4O/c1-3-4-5-6-10-28-29-15-11-23(34-29)20-25-13-17-31(36-25)33(22-8-7-9-27(19-22)38-2)32-18-14-26(37-32)21-24-12-16-30(28)35-24/h7-9,11-21,34,37H,3-6,10H2,1-2H3/b23-20-,24-21-,25-20-,26-21-,29-28-,30-28-,33-31-,33-32- |
| InChIKey | UUSDDVCVAQGDEV-GGVMVEGRSA-N |
| Mol Weight | 500.6 g/mol |
| Molecular Formula | C33H32N4O |
| Exact Mass | 500.257612 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 54tnmmS0JzM |
|---|---|
| Name | 5-Hexyl-15-(3-methoxyphenyl)porphyrin |
| Alternate Name(s) | 2-Hexyl-12-(3-methoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene 3-[12-hexyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl methyl ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H32N4O |
| InChI | InChI=1S/C33H32N4O/c1-3-4-5-6-10-28-29-15-11-23(34-29)20-25-13-17-31(36-25)33(22-8-7-9-27(19-22)38-2)32-18-14-26(37-32)21-24-12-16-30(28)35-24/h7-9,11-21,34,37H,3-6,10H2,1-2H3/b23-20-,24-21-,25-20-,26-21-,29-28-,30-28-,33-31-,33-32- |
| InChIKey | UUSDDVCVAQGDEV-GGVMVEGRSA-N |
| Molecular Weight | 500.646 g/mol |
| SMILES | [nH]1c2ccc1cc1nc(c(c3ccc(cc4nc(c2CCCCCC)cc4)[nH]3)-c2cc(OC)ccc2)cc1 |
| SPLASH | splash10-0ufr-0000490000-1d864d1ac7d4a7e4ca12 |
| Source of Spectrum | KC-91-5546-22 |
| Wiley ID | 1629491 |