| SpectraBase Compound ID | E3vph2Tspoh |
|---|---|
| InChI | InChI=1S/C48H62N4O/c1-5-8-11-14-17-23-37-40-26-28-42(49-40)38(24-18-15-12-9-6-2)44-30-32-46(51-44)48(35-21-20-22-36(34-35)53-4)47-33-31-45(52-47)39(25-19-16-13-10-7-3)43-29-27-41(37)50-43/h20-22,26-34,49,52H,5-19,23-25H2,1-4H3/b40-37-,41-37-,42-38-,43-39-,44-38-,45-39-,48-46-,48-47- |
| InChIKey | VZYRAPOYKSQTES-XLZZJQPNSA-N |
| Mol Weight | 711.1 g/mol |
| Molecular Formula | C48H62N4O |
| Exact Mass | 710.492363 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2DRRVXGCWq2 |
|---|---|
| Name | 5,10,15-Triheptyl-20-(3-methoxyphenyl)porphyrin |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H62N4O |
| InChI | InChI=1S/C48H62N4O/c1-5-8-11-14-17-23-37-40-26-28-42(49-40)38(24-18-15-12-9-6-2)44-30-32-46(51-44)48(35-21-20-22-36(34-35)53-4)47-33-31-45(52-47)39(25-19-16-13-10-7-3)43-29-27-41(37)50-43/h20-22,26-34,49,52H,5-19,23-25H2,1-4H3/b40-37-,41-37-,42-38-,43-39-,44-38-,45-39-,48-46-,48-47- |
| InChIKey | VZYRAPOYKSQTES-XLZZJQPNSA-N |
| Molecular Weight | 711.051 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)ccc2)cc4)CCCCCCC)cc3)CCCCCCC)cc1)CCCCCCC |
| SPLASH | splash10-03di-0000001900-8bce95fd7e68e0d52258 |
| Source of Spectrum | KC-91-5554-58 |
| Synonyms | 2,12,17-triheptyl-7-(3-methoxyphenyl)-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-undecaene methyl 3-[7,12,17-triheptyl-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]phenyl ether |
| Wiley ID | 1629467 |