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(E,Z)-Methyl 3-[1-(3-amino-4-oxo-4H-thieno[3,4-c]-2H-chromenyl]propoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E,Z)-Methyl 3-[1-(3-amino-4-oxo-4H-thieno[3,4-c]-2H-chromenyl]propoate
SpectraBase Compound ID GhUMcPo1lts
InChI InChI=1S/C15H11NO4S/c1-19-11(17)7-6-10-12-8-4-2-3-5-9(8)20-15(18)13(12)14(16)21-10/h2-7H,16H2,1H3/b7-6+
InChIKey DUCSJFFYVIJCDU-VOTSOKGWSA-N
Mol Weight 301.32 g/mol
Molecular Formula C15H11NO4S
Exact Mass 301.040879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iwmJp6iogB
Name (E,Z)-Methyl 3-[1-(3-amino-4-oxo-4H-thieno[3,4-C]-2H-chromenyl]propoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.040879008 u
Formula C15H11NO4S
InChI InChI=1S/C15H11NO4S/c1-19-11(17)7-6-10-12-8-4-2-3-5-9(8)20-15(18)13(12)14(16)21-10/h2-7H,16H2,1H3/b7-6+
InChIKey DUCSJFFYVIJCDU-VOTSOKGWSA-N
Molecular Weight 301.316 g/mol
SMILES C1=2C(=C(\C=C\C(=O)OC)SC2N)C2=CC=CC=C2OC1=O