SpectraBase Compound ID | I4tXYNrMnMB |
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InChI | InChI=1S/C13H19NO4/c1-5-6-7-18-13(16)11-8(2)10(9(3)14-11)12(15)17-4/h14H,5-7H2,1-4H3 |
InChIKey | OHNHXZXSADNGAV-UHFFFAOYSA-N |
Mol Weight | 253.3 g/mol |
Molecular Formula | C13H19NO4 |
Exact Mass | 253.131408 g/mol |
SpectraBase Spectrum ID | DaZ4bGmMZqi |
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Name | 2-Butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 253.131408092 u |
Formula | C13H19NO4 |
InChI | InChI=1S/C13H19NO4/c1-5-6-7-18-13(16)11-8(2)10(9(3)14-11)12(15)17-4/h14H,5-7H2,1-4H3 |
InChIKey | OHNHXZXSADNGAV-UHFFFAOYSA-N |
Molecular Weight | 253.298 g/mol |
SMILES | N1C(=C(C(=C1C)C(=O)OC)C)C(=O)OCCCC |