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METHYL-(2-FORMYL-3-METHYL-5-ETHYNYL-1H-4-PYRROLYL)-3-PROPANOATE
SpectraBase Compound ID J86YJkbjoUT
InChI InChI=1S/C12H13NO3/c1-4-10-9(5-6-12(15)16-3)8(2)11(7-14)13-10/h1,7,13H,5-6H2,2-3H3
InChIKey IQRGPHSSBQUDAS-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CdeYZKwf5K
Name METHYL-(2-FORMYL-3-METHYL-5-ETHYNYL-1H-4-PYRROLYL)-3-PROPANOATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-4-10-9(5-6-12(15)16-3)8(2)11(7-14)13-10/h1,7,13H,5-6H2,2-3H3
InChIKey IQRGPHSSBQUDAS-UHFFFAOYSA-N
Literature Reference Author B.TU,B.GHOSH,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,68,8950(2003)
Literature Reference DOI 10.1021/jo030252t
Molecular Weight 219.240 g/mol
Solvent Unknown
Source File Reference UWSI21309