| SpectraBase Spectrum ID |
1NHTUmafPY3 |
| Name |
Benzoic acid, 2-[[5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene]methyl]-, (E,Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.163042573 u |
| Formula |
C22H22N2O3 |
| InChI |
InChI=1S/C22H22N2O3/c1-5-16-14(4)21(25)24-20(16)11-19-13(3)12(2)18(23-19)10-15-8-6-7-9-17(15)22(26)27/h6-11H,5H2,1-4H3,(H,24,25)(H,26,27)/b18-10-,20-11+ |
| InChIKey |
FDKFEYRZUWRSFL-WRUJMICBSA-N |
| Molecular Weight |
362.429 g/mol |
| SMILES |
C1(N\C(C(=C1C)CC)=C/C1=N\C(=C/C=2C(C(=O)O)=CC=CC2)C(=C1C)C)=O |
![Benzoic acid, 2-[[5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene]methyl]-, (E,Z)-](/api/spectrum/1NHTUmafPY3/structure.png?h=300&w=458 "Benzoic acid, 2-[[5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene]methyl]-, (E,Z)-")
