| SpectraBase Spectrum ID |
K6gapVZFHkU |
| Name |
Xanthobilirubic Acid rac-2-Octyl Ester |
| Alternate Name(s) |
1-Methylheptyl 3-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38N2O3 |
| InChI |
InChI=1S/C25H38N2O3/c1-7-9-10-11-12-16(3)30-24(28)14-13-21-17(4)22(26-19(21)6)15-23-20(8-2)18(5)25(29)27-23/h15-16,26H,7-14H2,1-6H3,(H,27,29)/b23-15- |
| InChIKey |
PXQZXKRVLUDUPT-HAHDFKILSA-N |
| Molecular Weight |
414.590 g/mol |
| SMILES |
N1C(C(=C(\C1=C/c1[nH]c(c(c1C)CCC(=O)OC(CCCCCC)C)C)CC)C)=O |
| SPLASH |
splash10-03di-0021900000-9d3c121644da7575c5a9 |
| Source of Spectrum |
F-47-1953-7 |
| Wiley ID |
1375571 |
