| SpectraBase Compound ID | 59Tbensc2Pz |
|---|---|
| InChI | InChI=1S/C36H46ClN5/c1-9-19-23(13-5)33-31(37)34-24(14-6)20(10-2)28(40-34)18-30-22(12-4)26(16-8)36(42-30)32(38)35-25(15-7)21(11-3)29(41-35)17-27(19)39-33/h17-18,39,42H,9-16,38H2,1-8H3/b27-17-,28-18-,29-17-,30-18-,33-31+,34-31+,35-32+,36-32+ |
| InChIKey | SLDRDNMDRLPVML-NZXKNLAPSA-N |
| Mol Weight | 584.3 g/mol |
| Molecular Formula | C36H46ClN5 |
| Exact Mass | 583.344174 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | lB4yfP5K5N |
|---|---|
| Name | 21H,23H-Porphin-5-amine, 15-chloro-2,3,7,8,12,13,17,18-octaethyl- |
| CAS Registry Number | 63972-60-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H46ClN5 |
| InChI | InChI=1S/C36H46ClN5/c1-9-19-23(13-5)33-31(37)34-24(14-6)20(10-2)28(40-34)18-30-22(12-4)26(16-8)36(42-30)32(38)35-25(15-7)21(11-3)29(41-35)17-27(19)39-33/h17-18,39,42H,9-16,38H2,1-8H3/b27-17-,28-18-,29-17-,30-18-,33-31+,34-31+,35-32+,36-32+ |
| InChIKey | SLDRDNMDRLPVML-NZXKNLAPSA-N |
| Molecular Weight | 584.252 g/mol |
| SMILES | [nH]1c2c(c(c1c(c1nc(cc3c(c(c(c(c4nc(c2)c(c4CC)CC)N)[nH]3)CC)CC)c(c1CC)CC)Cl)CC)CC |
| SPLASH | splash10-0002-0000090000-b1e2d89770c87c443d73 |
| Source of Spectrum | F-33-633-0 |
| Synonyms | .alpha.-amino-.gamma.-chloro-octaethylporphyrin 12-chloro-4,5,9,10,14,15,19,20-octaethyl-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-amine 12-chloro-4,5,9,10,14,15,19,20-octaethyl-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-ylamine |
| Wiley ID | 1408771 |