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Benzenepropanal, .alpha.-(4-ethoxyphenyl)-2-nitro-.beta.-oxo-
SpectraBase Compound ID JxrDMxFcaj4
InChI InChI=1S/C17H15NO5/c1-2-23-13-9-7-12(8-10-13)15(11-19)17(20)14-5-3-4-6-16(14)18(21)22/h3-11,15H,2H2,1H3
InChIKey SSDRXSJKOMUFOQ-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C17H15NO5
Exact Mass 313.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzlesXDjXiL
Name Benzenepropanal, .alpha.-(4-ethoxyphenyl)-2-nitro-.beta.-oxo-
Alternate Name(s) 2-(4-Ethoxyphenyl)-3-(2-nitrophenyl)-3-oxo-1-propanal 2-(4-Ethoxyphenyl)-3-(2-nitrophenyl)-3-oxopropanal
CAS Registry Number 81883-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO5
InChI InChI=1S/C17H15NO5/c1-2-23-13-9-7-12(8-10-13)15(11-19)17(20)14-5-3-4-6-16(14)18(21)22/h3-11,15H,2H2,1H3
InChIKey SSDRXSJKOMUFOQ-UHFFFAOYSA-N
Molecular Weight 313.309 g/mol
SMILES c1(N(=O)=O)c(C(C(c2ccc(cc2)OCC)C=O)=O)cccc1
SPLASH splash10-0002-0933000000-8fef8b52e2f6f12d430e
Source of Spectrum O-19-483-12
Wiley ID 1314230