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Methyl 2,5-dihydro-4-methyl-2-oxo-5-[(thien-2'-yl)methylidene]-1H-pyrrole-3-propanoate
SpectraBase Compound ID AvhOMaDPmcb
InChI InChI=1S/C14H15NO3S/c1-9-11(5-6-13(16)18-2)14(17)15-12(9)8-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)/b12-8-
InChIKey XHFRLMZAPLFEOQ-WQLSENKSSA-N
Mol Weight 277.34 g/mol
Molecular Formula C14H15NO3S
Exact Mass 277.077265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrV1JvifgOG
Name Methyl 2,5-dihydro-4-methyl-2-oxo-5-[(thien-2'-yl)methylidene]-1H-pyrrole-3-propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.077264518 u
Formula C14H15NO3S
InChI InChI=1S/C14H15NO3S/c1-9-11(5-6-13(16)18-2)14(17)15-12(9)8-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)/b12-8-
InChIKey XHFRLMZAPLFEOQ-WQLSENKSSA-N
Molecular Weight 277.338 g/mol
SMILES C1(N\C(C(=C1CCC(=O)OC)C)=C\C=1SC=CC1)=O