| SpectraBase Compound ID | BVGKaprI1Cl |
|---|---|
| InChI | InChI=1S/C42H50N4O/c1-9-26-28(11-3)36-23-38-30(13-5)32(15-7)40(45-38)42(47-25-20-18-17-19-21-25)41-33(16-8)31(14-6)39(46-41)24-37-29(12-4)27(10-2)35(44-37)22-34(26)43-36/h17-24,43,46H,9-16H2,1-8H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,42-40+,42-41+ |
| InChIKey | MLMNPGXFEILWCB-RFJSBULTSA-N |
| Mol Weight | 626.9 g/mol |
| Molecular Formula | C42H50N4O |
| Exact Mass | 626.398462 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DXaAQSVbXXj |
|---|---|
| Name | 2,3,7,8,12,13,17,18-Octaethyl-5-phenoxyporphyrine |
| Alternate Name(s) | 4,5,9,10,14,15,19,20-octaethyl-12-phenoxy-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 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(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl phenyl ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H50N4O |
| InChI | InChI=1S/C42H50N4O/c1-9-26-28(11-3)36-23-38-30(13-5)32(15-7)40(45-38)42(47-25-20-18-17-19-21-25)41-33(16-8)31(14-6)39(46-41)24-37-29(12-4)27(10-2)35(44-37)22-34(26)43-36/h17-24,43,46H,9-16H2,1-8H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,42-40+,42-41+ |
| InChIKey | MLMNPGXFEILWCB-RFJSBULTSA-N |
| Molecular Weight | 626.889 g/mol |
| SMILES | [nH]1c2cc3nc(cc4[nH]c(c(c5nc(cc1c(c2CC)CC)c(c5CC)CC)Oc1ccccc1)c(c4CC)CC)c(c3CC)CC |
| SPLASH | splash10-004i-0000009000-42101b202d28ce8e3f4d |
| Source of Spectrum | K1-2001-1748-46 |
| Wiley ID | 846379 |