| SpectraBase Compound ID | CF3Rqc60uNI |
|---|---|
| InChI | InChI=1S/C36H45N5O2/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)34(39-32)36(41(42)43)35-27(16-8)25(14-6)33(40-35)19-31-23(12-4)21(10-2)29(38-31)17-28(20)37-30/h17-19,37,40H,9-16H2,1-8H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,36-34+,36-35+ |
| InChIKey | WJXXVECTQVTHKQ-FTCDMLCCSA-N |
| Mol Weight | 579.8 g/mol |
| Molecular Formula | C36H45N5O2 |
| Exact Mass | 579.357326 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BGiDLyQIYE1 |
|---|---|
| Name | 5-Nitrooctaethylporphyrin |
| Alternate Name(s) | 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-nitro- 4,5,9,10,14,15,19,20-octaethyl-2-nitro-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 5-Nitro-octaethylporphyrin meso-nitrooctaethylporphyrin Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-nitro- |
| CAS Registry Number | 3133-98-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H45N5O2 |
| InChI | InChI=1S/C36H45N5O2/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)34(39-32)36(41(42)43)35-27(16-8)25(14-6)33(40-35)19-31-23(12-4)21(10-2)29(38-31)17-28(20)37-30/h17-19,37,40H,9-16H2,1-8H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,36-34+,36-35+ |
| InChIKey | WJXXVECTQVTHKQ-FTCDMLCCSA-N |
| Molecular Weight | 579.789 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)N(=O)=O)c(c3CC)CC)c(c1CC)CC)CC)CC |
| SPLASH | splash10-0059-0000290000-d925dbf22fea3e860116 |
| Source of Spectrum | O-32-980-1 |
| Wiley ID | 763019 |