| SpectraBase Spectrum ID |
7P0MKtgAoxq |
| Name |
1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, hexadecyl ester, (Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.450223035 u |
| Formula |
C37H60N2O5 |
| InChI |
InChI=1S/C37H60N2O5/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-25-43-33(40)24-23-30-27(3)31(38-34(30)36(42)44-37(5,6)7)26-32-29(9-2)28(4)35(41)39-32/h26,38H,8-25H2,1-7H3,(H,39,41)/b32-26- |
| InChIKey |
FIXYIBYPGIXJQO-FSRJSHLRSA-N |
| Molecular Weight |
612.896 g/mol |
| SMILES |
C=1(NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(=O)OCCCCCCCCCCCCCCCC)C)C(OC(C)(C)C)=O |
![1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, hexadecyl ester, (Z)-](/api/spectrum/7P0MKtgAoxq/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, hexadecyl ester, (Z)-")
