| SpectraBase Compound ID | GeYhcXH5ppI |
|---|---|
| InChI | InChI=1S/C38H48N4O2/c1-10-22-24(12-3)32-19-34-26(14-5)28(16-7)36(41-34)38(44-21(9)43)37-29(17-8)27(15-6)35(42-37)20-33-25(13-4)23(11-2)31(40-33)18-30(22)39-32/h18-20,39,42H,10-17H2,1-9H3/b30-18-,31-18-,32-19-,33-20-,34-19-,35-20-,38-36+,38-37+ |
| InChIKey | KFVNLWZMQKLHRY-ARZMHEQLSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C38H48N4O2 |
| Exact Mass | 592.377727 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IB5ydiqomDC |
|---|---|
| Name | 21H,23H-Porphin-5-ol, 2,3,7,8,12,13,17,18-octaethyl-, acetate(ester) |
| CAS Registry Number | 14287-38-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H48N4O2 |
| InChI | InChI=1S/C38H48N4O2/c1-10-22-24(12-3)32-19-34-26(14-5)28(16-7)36(41-34)38(44-21(9)43)37-29(17-8)27(15-6)35(42-37)20-33-25(13-4)23(11-2)31(40-33)18-30(22)39-32/h18-20,39,42H,10-17H2,1-9H3/b30-18-,31-18-,32-19-,33-20-,34-19-,35-20-,38-36+,38-37+ |
| InChIKey | KFVNLWZMQKLHRY-ARZMHEQLSA-N |
| Molecular Weight | 592.828 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2OC(=O)C)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC |
| SPLASH | splash10-0f6x-0000090000-7d66b35904e4939a4f8a |
| Source of Spectrum | KC-1983-106-0 |
| Synonyms | 5-Porphinol, 2,3,7,8,12,13,17,18-octaethyl-, acetate (ester) 4,5,9,10,14,15,19,20-octaethyl-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-2-yl acetate 5-Acetoxy-2,3,7,8,12,13,17,18-octaethylporphyrin 5-Acetoxyoctaethylporphyrin |
| Wiley ID | 1409534 |