| SpectraBase Spectrum ID |
2a7z8J5dxW |
| Name |
5,15-Bis(o-chloropropionamidophenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H54Cl2N6O2 |
| InChI |
InChI=1S/C50H54Cl2N6O2/c1-9-31-27(5)47-45(35-17-13-15-19-37(35)53-43(59)21-23-51)48-29(7)33(11-3)41(57-48)26-42-34(12-4)30(8)50(58-42)46(36-18-14-16-20-38(36)54-44(60)22-24-52)49-28(6)32(10-2)40(56-49)25-39(31)55-47/h13-20,25-26,55,58H,9-12,21-24H2,1-8H3,(H,53,59)(H,54,60)/b39-25-,40-25-,41-26-,42-26-,47-45-,48-45-,49-46-,50-46- |
| InChIKey |
PXHNSSFBFABVNP-GVUXCLBQSA-N |
| Molecular Weight |
841.928 g/mol |
| SMILES |
[nH]1c2cc3nc(c(-c4c(cccc4)NC(CCCl)=O)c4c(c(c(cc5nc(c(c1c(c2CC)C)-c1c(NC(CCCl)=O)cccc1)c(c5CC)C)[nH]4)CC)C)c(c3CC)C |
| SPLASH |
splash10-0006-0000000090-04d0500f47bd87af68af |
| Source of Spectrum |
C3-22-622-4 |
| Wiley ID |
879664 |
