| SpectraBase Compound ID | DHXqeonpDjO |
|---|---|
| InChI | InChI=1S/C36H42N4O5/c1-9-23-18(2)26-14-27-19(3)24(10-12-34(42)44-7)31(38-27)17-32-25(11-13-35(43)45-8)20(4)28(39-32)16-33-36(22(6)41)21(5)29(40-33)15-30(23)37-26/h14-17,22,37,39,41H,9-13H2,1-8H3/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16- |
| InChIKey | OZPSRHQEEIDUHT-UQOLDQHFSA-N |
| Mol Weight | 610.8 g/mol |
| Molecular Formula | C36H42N4O5 |
| Exact Mass | 610.31552 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6NqXlFicma1 |
|---|---|
| Name | 2(4)-ethyl-4(2)-(1-hydroxyethyl)deuteroporphyrin dimethyl ester |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H42N4O5 |
| InChI | InChI=1S/C36H42N4O5/c1-9-23-18(2)26-14-27-19(3)24(10-12-34(42)44-7)31(38-27)17-32-25(11-13-35(43)45-8)20(4)28(39-32)16-33-36(22(6)41)21(5)29(40-33)15-30(23)37-26/h14-17,22,37,39,41H,9-13H2,1-8H3/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16- |
| InChIKey | OZPSRHQEEIDUHT-UQOLDQHFSA-N |
| Molecular Weight | 610.755 g/mol |
| SMILES | [nH]1c2cc3nc(c(c3C(O)C)C)cc3c(c(c(cc4nc(cc1c(c2C)CCC(=O)OC)c(c4C)CCC(=O)OC)[nH]3)C)CC |
| SPLASH | splash10-03di-0000019000-91610dc8e062d427df94 |
| Source of Spectrum | B-44-411-0 |
| Wiley ID | 1410930 |