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(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-en-1-one

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(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-en-1-one
SpectraBase Compound ID 3SdHz76WPre
InChI InChI=1S/C21H16ClNO4/c1-25-16-4-5-17-15(11-16)10-14(21(22)23-17)2-6-18(24)13-3-7-19-20(12-13)27-9-8-26-19/h2-7,10-12H,8-9H2,1H3/b6-2+
InChIKey DUPWRFKEJCOPNE-QHHAFSJGSA-N
Mol Weight 381.82 g/mol
Molecular Formula C21H16ClNO4
Exact Mass 381.076786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oJ7wqYBxrW
Name (2E)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.076785695 u
Formula C21H16ClNO4
InChI InChI=1S/C21H16ClNO4/c1-25-16-4-5-17-15(11-16)10-14(21(22)23-17)2-6-18(24)13-3-7-19-20(12-13)27-9-8-26-19/h2-7,10-12H,8-9H2,1H3/b6-2+
InChIKey DUPWRFKEJCOPNE-QHHAFSJGSA-N
Molecular Weight 381.815 g/mol
SMILES C1(=NC=2C(C=C1\C=C\C(C=1C=C3OCCOC3=CC1)=O)=CC(=CC2)OC)Cl