| SpectraBase Compound ID | AapPcF9MAxJ |
|---|---|
| InChI | InChI=1S/C45H56N4O/c1-5-8-11-14-20-34-37-23-25-39(46-37)35(21-15-12-9-6-2)41-27-29-43(48-41)45(32-18-17-19-33(31-32)50-4)44-30-28-42(49-44)36(22-16-13-10-7-3)40-26-24-38(34)47-40/h17-19,23-31,46,49H,5-16,20-22H2,1-4H3/b37-34-,38-34-,39-35-,40-36-,41-35-,42-36-,45-43-,45-44- |
| InChIKey | NJBPBZHKBGGADO-ZPOSYCCUSA-N |
| Mol Weight | 669.0 g/mol |
| Molecular Formula | C45H56N4O |
| Exact Mass | 668.445412 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Erbphy1bMj |
|---|---|
| Name | 5,10,15-Trihexyl-20-(3-methoxyphenyl)porphyrin |
| Alternate Name(s) | 2,12,17-trihexyl-7-(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 Methyl 3-[7,12,17-trihexyl-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-undecaen-2-yl]phenyl ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H56N4O |
| InChI | InChI=1S/C45H56N4O/c1-5-8-11-14-20-34-37-23-25-39(46-37)35(21-15-12-9-6-2)41-27-29-43(48-41)45(32-18-17-19-33(31-32)50-4)44-30-28-42(49-44)36(22-16-13-10-7-3)40-26-24-38(34)47-40/h17-19,23-31,46,49H,5-16,20-22H2,1-4H3/b37-34-,38-34-,39-35-,40-36-,41-35-,42-36-,45-43-,45-44- |
| InChIKey | NJBPBZHKBGGADO-ZPOSYCCUSA-N |
| Molecular Weight | 668.970 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)ccc2)cc4)CCCCCC)cc3)CCCCCC)cc1)CCCCCC |
| SPLASH | splash10-014i-0000019000-bc5b075c957b1b71bf8b |
| Source of Spectrum | KC-91-5553-53 |
| Wiley ID | 1629470 |