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(2E)-1-(4-Aminophenyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
SpectraBase Compound ID HibkVwFWbgo
InChI InChI=1S/C16H13NO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10,17H2/b7-1+
InChIKey HRRYLMJOPQRTKQ-LREOWRDNSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45OIQAC8mEX
Name (2E)-1-(4-Aminophenyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Alternate Name(s) (E)-1-(4-aminophenyl)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10,17H2/b7-1+
InChIKey HRRYLMJOPQRTKQ-LREOWRDNSA-N
Literature Reference DOI 10.1002/cbdv.200590029
Molecular Weight 267.284 g/mol
SMILES Nc1ccc(cc1)C(\C=C\c1cc2OCOc2cc1)=O
SPLASH splash10-01b9-3590000000-8718e4dffba3bc99d710
Source of Spectrum CBD-2-492-19
Wiley ID 1790176