| SpectraBase Compound ID | JYHHA1u173 |
|---|---|
| InChI | InChI=1S/C37H47N5O3/c1-10-20-24(14-5)32-36(42(43)44)33-25(15-6)21(11-2)29(39-33)19-31-23(13-4)27(17-8)35(41-31)37(45-9)34-26(16-7)22(12-3)30(40-34)18-28(20)38-32/h18-19,38,41H,10-17H2,1-9H3/b28-18-,29-19-,30-18-,31-19-,36-32+,36-33+,37-34+,37-35+ |
| InChIKey | HVUJUQAPFJFQRR-XDXFYHBNSA-N |
| Mol Weight | 609.8 g/mol |
| Molecular Formula | C37H47N5O3 |
| Exact Mass | 609.36789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LVWGSIOSdBH |
|---|---|
| Name | 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-methoxy-15-nitro- |
| CAS Registry Number | 96314-25-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H47N5O3 |
| InChI | InChI=1S/C37H47N5O3/c1-10-20-24(14-5)32-36(42(43)44)33-25(15-6)21(11-2)29(39-33)19-31-23(13-4)27(17-8)35(41-31)37(45-9)34-26(16-7)22(12-3)30(40-34)18-28(20)38-32/h18-19,38,41H,10-17H2,1-9H3/b28-18-,29-19-,30-18-,31-19-,36-32+,36-33+,37-34+,37-35+ |
| InChIKey | HVUJUQAPFJFQRR-XDXFYHBNSA-N |
| Molecular Weight | 609.815 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(c(c3[nH]c(cc4nc(c2N(=O)=O)c(c4CC)CC)c(c3CC)CC)OC)c(c1CC)CC)CC)CC |
| SPLASH | splash10-0bt9-0000059000-8ccfc161c81106dd24c8 |
| Source of Spectrum | F-43-4576-15 |
| Synonyms | 4,5,9,10,14,15,19,20-octaethyl-2-methoxy-12-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-Methoxy-15-nitro-2,3,7,8,12,13,17,18-octaethylporphyrin Methyl 4,5,9,10,14,15,19,20-octaethyl-12-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-undecaen-2-yl ether |
| Wiley ID | 1410837 |