| SpectraBase Spectrum ID |
BdtmPycFf2v |
| Name |
3-(3-Methoxy-3-oxidanylidene-propyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid |
| 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(8-9-14(20)24-2)16(17(21)22)19-15(11)18(23)25-10-12-6-4-3-5-7-12/h3-7,19H,8-10H2,1-2H3,(H,21,22) |
| InChIKey |
FJUWOZLJVXLJDO-UHFFFAOYSA-N |
| Molecular Weight |
345.351 g/mol |
| SMILES |
C=1(NC(C(OCC=2C=CC=CC2)=O)=C(C1CCC(=O)OC)C)C(=O)O |
