| SpectraBase Spectrum ID |
GP5EZ9JzmkR |
| Name |
Copper(II) Uroporphyrin I permethylester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H52CuN4O16 |
| InChI |
InChI=1S/C48H52N4O16.Cu/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37;/h21-24H,9-20H2,1-8H3;/q-2;+2/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23-; |
| InChIKey |
XAXBXEPGDMPDBX-YNHFAQIQSA-N |
| Molecular Weight |
1004.502 g/mol |
| SMILES |
C=12[N]=3[Cu]45N6C(=CC3C(=C2CC(=O)OC)CCC(=O)OC)C(=C(C6=CC2=[N]4C(C(CCC(=O)OC)=C2CC(=O)OC)=Cc2[n]5c(c(CCC(=O)OC)c2CC(=O)OC)C1)CCC(=O)OC)CC(=O)OC |
| SPLASH |
splash10-0zfr-9000000123-e02d1a48c526c7da53a7 |
| Source of Spectrum |
BS-4-16-0 |
| Wiley ID |
1418400 |
