| SpectraBase Compound ID | 5LmrUsBSPh1 |
|---|---|
| InChI | InChI=1S/C34H36N4O4/c1-8-23-19(3)28-16-29-21(5)25(10-12-34(40)42-7)32(38-29)17-31-24(9-11-33(39)41-6)20(4)27(36-31)14-22-13-18(2)26(35-22)15-30(23)37-28/h8,13-17,35,38H,1,9-12H2,2-7H3/b22-14-,26-15-,27-14-,28-16-,29-16-,30-15-,31-17-,32-17- |
| InChIKey | RRUMLAXZVHKMEJ-OAOVUZDNSA-N |
| Mol Weight | 564.7 g/mol |
| Molecular Formula | C34H36N4O4 |
| Exact Mass | 564.273656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4XkNNbRNNSU |
|---|---|
| Name | 21H,23H-Porphine-2,18-dipropanoic acid,8-ethenyl-3,7,12,17-tetramethyl-, dimethyl ester |
| CAS Registry Number | 18210-87-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H36N4O4 |
| InChI | InChI=1S/C34H36N4O4/c1-8-23-19(3)28-16-29-21(5)25(10-12-34(40)42-7)32(38-29)17-31-24(9-11-33(39)41-6)20(4)27(36-31)14-22-13-18(2)26(35-22)15-30(23)37-28/h8,13-17,35,38H,1,9-12H2,2-7H3/b22-14-,26-15-,27-14-,28-16-,29-16-,30-15-,31-17-,32-17- |
| InChIKey | RRUMLAXZVHKMEJ-OAOVUZDNSA-N |
| Molecular Weight | 564.686 g/mol |
| SMILES | [nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C=C)C)C |
| SPLASH | splash10-03xr-0000390000-7b57db4163c4e16a21f3 |
| Source of Spectrum | C-105-6642-0 |
| Synonyms | 2,18-Porphinedipropionic acid, 3,7,12,17-tetramethyl-8-vinyl-, dimethyl ester 6,7-bis(2-methoxycarbonylethyl)-1,3,5,8-tetramethyl-2-vinylporphyrin Dimethyl 3,3'-[3-vinyl-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate Dimethyl ester of isopemptoporphyrin Isopemptoporphyrindimethyl ester Methyl 3-[20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-14-vinyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate |
| Wiley ID | 1407169 |