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SpectraBase Compound ID | 6Vujv3ZP1FK |
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InChI | InChI=1S/C13H13NO3/c1-16-10-3-4-12(17-2)11(7-10)13(15)9-5-6-14-8-9/h3-8,14H,1-2H3 |
InChIKey | ITNGDNPQCBUOHZ-UHFFFAOYSA-N |
Mol Weight | 231.25 g/mol |
Molecular Formula | C13H13NO3 |
Exact Mass | 231.089543 g/mol |
SpectraBase Spectrum ID | GeXD4QNxh4E |
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Name | 3-(2',5'-Dimethoxybenzoyl)pyrrole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 231.089543280 u |
Formula | C13H13NO3 |
InChI | InChI=1S/C13H13NO3/c1-16-10-3-4-12(17-2)11(7-10)13(15)9-5-6-14-8-9/h3-8,14H,1-2H3 |
InChIKey | ITNGDNPQCBUOHZ-UHFFFAOYSA-N |
Molecular Weight | 231.251 g/mol |
SMILES | C=1(C(C2=CNC=C2)=O)C(=CC=C(C1)OC)OC |