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propanoic acid, 2-methyl-, (2Z)-2,3-dihydro-3-oxo-2-(2-thienylmethylene)benzofuranyl ester

View entire compound with spectra: 2 NMR

propanoic acid, 2-methyl-, (2Z)-2,3-dihydro-3-oxo-2-(2-thienylmethylene)benzofuranyl ester
SpectraBase Compound ID AsG3LiKOZMu
InChI InChI=1S/C17H14O4S/c1-10(2)17(19)20-11-5-6-13-14(8-11)21-15(16(13)18)9-12-4-3-7-22-12/h3-10H,1-2H3/b15-9-
InChIKey AFIIIWWMMLMPKG-DHDCSXOGSA-N
Mol Weight 314.36 g/mol
Molecular Formula C17H14O4S
Exact Mass 314.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dz0N47Gr5Uf
Name Propanoic acid, 2-methyl-, (2Z)-2,3-dihydro-3-oxo-2-(2-thienylmethylene)benzofuranyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.061280101 u
Formula C17H14O4S
InChI InChI=1S/C17H14O4S/c1-10(2)17(19)20-11-5-6-13-14(8-11)21-15(16(13)18)9-12-4-3-7-22-12/h3-10H,1-2H3/b15-9-
InChIKey AFIIIWWMMLMPKG-DHDCSXOGSA-N
Molecular Weight 314.355 g/mol
SMILES C1(\C(OC2=CC(=CC=C12)OC(=O)C(C)C)=C\C=1SC=CC1)=O