| SpectraBase Spectrum ID |
87akkASjjHd |
| Name |
Dimethyl 3,3'-[3-{2''-(T-butoxycarbonyl)vinyl}-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
664.326085147 u |
| Formula |
C39H44N4O6 |
| InChI |
InChI=1S/C39H44N4O6/c1-21-16-25-17-30-22(2)26(10-13-36(44)47-8)34(41-30)20-35-27(11-14-37(45)48-9)23(3)32(43-35)19-31-24(4)28(33(42-31)18-29(21)40-25)12-15-38(46)49-39(5,6)7/h12,15-20,41-42H,10-11,13-14H2,1-9H3/b15-12+,25-17-,29-18-,30-17-,31-19-,32-19-,33-18-,34-20-,35-20- |
| InChIKey |
KIXSKSZWRZPEPE-NDLDZWSCSA-N |
| Molecular Weight |
664.803 g/mol |
| SMILES |
C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C=C4C)C(=C3C)\C=C\C(OC(C)(C)C)=O)C(=C1CCC(=O)OC)C |
![Dimethyl 3,3'-[3-{2"-(t-butoxycarbonyl)vinyl}-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate](/api/spectrum/87akkASjjHd/structure.png?h=300&w=458 "Dimethyl 3,3'-[3-{2\"-(t-butoxycarbonyl)vinyl}-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate")
