| SpectraBase Spectrum ID |
13DvsR6cvDR |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.221285724 u |
| Formula |
C28H31N3O6 |
| InChI |
InChI=1S/C28H31N3O6/c1-7-18-15(2)22(31-28(18)35)12-21-16(3)19(8-10-26(33)36-5)23(29-21)13-24-20(9-11-27(34)37-6)17(4)25(14-32)30-24/h7,12-14,29H,1,8-11H2,2-6H3,(H,31,35)/b22-12+,24-13+ |
| InChIKey |
YXDBDSSCTIDRLT-DAJSDIHVSA-N |
| Molecular Weight |
505.571 g/mol |
| SMILES |
C1(=N\C(C(=C1C)CCC(=O)OC)=C/C=1NC(\C=C/2NC(=O)C(=C2C)C=C)=C(C1CCC(=O)OC)C)C=O |
![1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-](/api/spectrum/13DvsR6cvDR/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-")
