| SpectraBase Compound ID | Hx0cPSEtdla |
|---|---|
| InChI | InChI=1S/C47H68N4O/c1-10-15-19-23-35-32(7)41-28-45-37(25-21-17-12-3)34(9)46(51-45)39(30-52-14-5)47-38(26-22-18-13-4)33(8)42(50-47)29-44-36(24-20-16-11-2)31(6)40(48-44)27-43(35)49-41/h27-29,49-50H,10-26,30H2,1-9H3/b40-27-,41-28-,42-29-,43-27-,44-29-,45-28-,46-39-,47-39- |
| InChIKey | SBCIUOUVUOQRLB-OOPRMWAWSA-N |
| Mol Weight | 705.1 g/mol |
| Molecular Formula | C47H68N4O |
| Exact Mass | 704.539313 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7LAoTSfGlFl |
|---|---|
| Name | 21H,23H-Porphine, 5-(ethoxymethyl)-2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl- |
| CAS Registry Number | 69912-21-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H68N4O |
| InChI | InChI=1S/C47H68N4O/c1-10-15-19-23-35-32(7)41-28-45-37(25-21-17-12-3)34(9)46(51-45)39(30-52-14-5)47-38(26-22-18-13-4)33(8)42(50-47)29-44-36(24-20-16-11-2)31(6)40(48-44)27-43(35)49-41/h27-29,49-50H,10-26,30H2,1-9H3/b40-27-,41-28-,42-29-,43-27-,44-29-,45-28-,46-39-,47-39- |
| InChIKey | SBCIUOUVUOQRLB-OOPRMWAWSA-N |
| Molecular Weight | 705.088 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2COCC)c(c4CCCCC)C)c(c3CCCCC)C)c(c1CCCCC)C)C)CCCCC |
| SPLASH | splash10-0r00-0000016900-1676006c74708de21b18 |
| Source of Spectrum | J-44-2080-0 |
| Synonyms | (.alpha.-(ethoxymethyl)-1,3,5,7-tetramethyl-2,4,6,8-tetra(n-pentyl)porphyrin 2-(ethoxymethyl)-5,10,15,20-tetramethyl-4,9,14,19-tetrapentyl-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 Ethyl[5,10,15,20-tetramethyl-4,9,14,19-tetrapentyl-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]methyl ether |
| Wiley ID | 1415170 |