SpectraBase Spectrum ID |
IpMXHKHxSWJ |
Name |
Ethyl 3-(3,4-methylenedioxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
335.115758027 u |
Formula |
C20H17NO4 |
InChI |
InChI=1S/C20H17NO4/c1-2-23-20(22)19-15(11-16(21-19)13-6-4-3-5-7-13)14-8-9-17-18(10-14)25-12-24-17/h3-11,21H,2,12H2,1H3 |
InChIKey |
OEJHSTCWHZVLIK-UHFFFAOYSA-N |
Molecular Weight |
335.359 g/mol |
SMILES |
C1(=C(C=C(N1)C1=CC=CC=C1)C1=CC=2OCOC2C=C1)C(=O)OCC |