| SpectraBase Compound ID | OWxbXg9Fjf |
|---|---|
| InChI | InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18- |
| InChIKey | LQBPATQBTSBIIH-MFBGAUBSSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C36H38N4O4 |
| Exact Mass | 590.289306 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 35Kt9HsQ7wT |
|---|---|
| Name | 2,18-Porphinedipropionic acid, 3,7,12,17-tetramethyl-8,13-divinyl-, dimethyl ester |
| CAS Registry Number | 5522-66-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H38N4O4 |
| InChI | InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18- |
| InChIKey | LQBPATQBTSBIIH-MFBGAUBSSA-N |
| Molecular Weight | 590.724 g/mol |
| SMILES | [nH]1c2cc3nc(cc4nc(cc5c(c(c(cc1c(c2C=C)C)[nH]5)C=C)C)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC |
| SPLASH | splash10-0006-0000190000-1f8c3f2f12c86d707fdc |
| Source of Spectrum | T-68-5834-0 |
| Synonyms | 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester Protoporphyrin dimethyl ester Protoporphyrin IX di-Me ester 7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid, dimethyl ester Dimethyl 3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionate Dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate Dimethyl protoporphyrin IX Methyl 3-[20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-9,14-divinyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11,13,15,17,19-decaen-4-yl]propanoate Protoporphyrin 1x dimethyl ester Protoporphyrin IX methyl ester Protoporphyrin IX, dimethyl ester AIDS-006241 EINECS 226-870-3 NSC 19666 |
| Wiley ID | 1409367 |