| SpectraBase Spectrum ID |
4B5P5H16HZK |
| Name |
4-Benzyl 2,3-dimethyl 1,5-dimethyl-1H-pyrrole-2,3,4-tricarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.121237330 u |
| Formula |
C18H19NO6 |
| InChI |
InChI=1S/C18H19NO6/c1-11-13(17(21)25-10-12-8-6-5-7-9-12)14(16(20)23-3)15(19(11)2)18(22)24-4/h5-9H,10H2,1-4H3 |
| InChIKey |
BGTDAXJQPDWNFX-UHFFFAOYSA-N |
| Molecular Weight |
345.351 g/mol |
| SMILES |
C=1(C(=C(C)N(C1C(=O)OC)C)C(OCC=1C=CC=CC1)=O)C(=O)OC |
