| SpectraBase Spectrum ID |
CaoHHwiwGeo |
| Name |
2H-Pyrrole-3-propanoic acid, 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylene]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, (Z,Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.205241738 u |
| Formula |
C23H27N3O3 |
| InChI |
InChI=1S/C23H27N3O3/c1-6-16-15(5)23(29)26-20(16)10-19-14(4)17(7-8-22(27)28)21(25-19)9-18-13(3)12(2)11-24-18/h9-11,24H,6-8H2,1-5H3,(H,26,29)(H,27,28)/b20-10+,21-9- |
| InChIKey |
POCXUABJVAGQKB-FSBAABDLSA-N |
| Molecular Weight |
393.487 g/mol |
| SMILES |
C1(=N\C(C(=C1C)CCC(=O)O)=C\C=1NC=C(C1C)C)\C=C/1NC(=O)C(=C1CC)C |
![2H-Pyrrole-3-propanoic acid, 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylene]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, (Z,Z)-](/api/spectrum/CaoHHwiwGeo/structure.png?h=300&w=458 "2H-Pyrrole-3-propanoic acid, 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylene]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, (Z,Z)-")
