![Dimethyl 3,3'-[8-formyl-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate](/api/spectrum/1z7SldlvnPe/structure.png?h=300&w=458 "Dimethyl 3,3'-[8-formyl-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate")
| SpectraBase Compound ID | 47aeBcjm7MW |
|---|---|
| InChI | InChI=1S/C33H34N4O5/c1-17-11-21-12-26-20(4)24(16-38)31(35-26)14-28-19(3)23(8-10-33(40)42-6)30(37-28)15-29-22(7-9-32(39)41-5)18(2)27(36-29)13-25(17)34-21/h11-16,34,37H,7-10H2,1-6H3/b21-12-,25-13-,26-12-,27-13-,28-14-,29-15-,30-15-,31-14- |
| InChIKey | HKINJJUQVAYKLF-FEGUWANQSA-N |
| Mol Weight | 566.7 g/mol |
| Molecular Formula | C33H34N4O5 |
| Exact Mass | 566.25292 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1z7SldlvnPe |
|---|---|
| Name | Dimethyl 3,3'-[8-formyl-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate |
| Alternate Name(s) | 21H,23H-Porphine-2,18-dipropanoic acid, 7-formyl-3,8,13,17-tetramethyl-, dimethyl ester 8-Formyl-2,712,18-tetramethyl-21H,23Hporphine-13,17-dipropyl dimethyl ester 1:1 mixture of 2- and 4-formyl-6,7-bis-(2-methoxycarbonylethyl)-1,3,5,8-tetramethylporphyrin 8-Formyl-2,7,12,18-tetramethyl-21H,23Hporphyrin-13,17-dipropyl dimethyl ester 2,18-Porphinedipropionic acid, 7-formyl-3,8,13,17-tetramethyl-, dimethyl ester 4-Formyldeuteroporphyrin IX dimethyl ester methyl 3-[15-formyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-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-4-yl]propanoate |
| CAS Registry Number | 15295-20-2 |
| Comments | Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C33H34N4O5 - which differs from the formula reported for the mass spectrum (C32H46N4O5) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H46N4O5 |
| InChI | InChI=1S/C33H34N4O5/c1-17-11-21-12-26-20(4)24(16-38)31(35-26)14-28-19(3)23(8-10-33(40)42-6)30(37-28)15-29-22(7-9-32(39)41-5)18(2)27(36-29)13-25(17)34-21/h11-16,34,37H,7-10H2,1-6H3/b21-12-,25-13-,26-12-,27-13-,28-14-,29-15-,30-15-,31-14- |
| InChIKey | HKINJJUQVAYKLF-FEGUWANQSA-N |
| Molecular Weight | 566.658 g/mol |
| SMILES | [nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C=O)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C |
| SPLASH | splash10-014i-0000090000-db5d281693bf60313876 |
| Source of Spectrum | AT-32-3479-3 |
| Wiley ID | 836015 |