| SpectraBase Compound ID | KvapHqZ9Oyn |
|---|---|
| InChI | InChI=1S/C43H50N4O2/c1-9-27-29(11-3)37-22-39-31(13-5)32(14-6)41(46-39)25(8)42-33(15-7)34(24-49-43(48)26-19-17-16-18-20-26)40(47-42)23-38-30(12-4)28(10-2)36(45-38)21-35(27)44-37/h16-23,44,47H,9-15,24H2,1-8H3/b35-21-,36-21-,37-22-,38-23-,39-22-,40-23-,41-25-,42-25- |
| InChIKey | AMIOCKWLFHNJBS-HSOOKHRHSA-N |
| Mol Weight | 654.9 g/mol |
| Molecular Formula | C43H50N4O2 |
| Exact Mass | 654.393377 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HRXFnOhHzOB |
|---|---|
| Name | 21H,23H-Porphine-2-methanol, 3,7,8,12,13,17,18-heptaethyl-.alpha.-methyl-, benzoate (ester) |
| Alternate Name(s) | 2-(1-Benzoyloxyethyl)-3,7,8,12,13,17,18-heptaethylporphyrin 2-Porphinemethanol, 3,7,8,12,13,17,18-heptaethyl-.alpha.-methyl-, benzoate (ester) [5,9,10,14,15,19,20-heptaethyl-7-methyl-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-4-yl]methyl benzoate |
| CAS Registry Number | 27226-59-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H50N4O2 |
| InChI | InChI=1S/C43H50N4O2/c1-9-27-29(11-3)37-22-39-31(13-5)32(14-6)41(46-39)25(8)42-33(15-7)34(24-49-43(48)26-19-17-16-18-20-26)40(47-42)23-38-30(12-4)28(10-2)36(45-38)21-35(27)44-37/h16-23,44,47H,9-15,24H2,1-8H3/b35-21-,36-21-,37-22-,38-23-,39-22-,40-23-,41-25-,42-25- |
| InChIKey | AMIOCKWLFHNJBS-HSOOKHRHSA-N |
| Molecular Weight | 654.899 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)C)c(c3COC(=O)c2ccccc2)CC)c(c1CC)CC)CC)CC |
| SPLASH | splash10-00f0-0900090000-4be5bc7bb5a0d5632598 |
| Source of Spectrum | KC-1976-799-0 |
| Wiley ID | 1413322 |