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Benzenepropanal, .alpha.-(4-methoxyphenyl)-2-nitro-.beta.-oxo-
SpectraBase Compound ID JAwt5boN3uY
InChI InChI=1S/C16H13NO5/c1-22-12-8-6-11(7-9-12)14(10-18)16(19)13-4-2-3-5-15(13)17(20)21/h2-10,14H,1H3
InChIKey BOTURVHPWZGERN-UHFFFAOYSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExtrcHUWjuc
Name Benzenepropanal, .alpha.-(4-methoxyphenyl)-2-nitro-.beta.-oxo-
CAS Registry Number 74598-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-22-12-8-6-11(7-9-12)14(10-18)16(19)13-4-2-3-5-15(13)17(20)21/h2-10,14H,1H3
InChIKey BOTURVHPWZGERN-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES c1(N(=O)=O)c(C(C(c2ccc(cc2)OC)C=O)=O)cccc1
SPLASH splash10-000i-0890000000-562c011402553dabd02a
Source of Spectrum O-19-483-11
Synonyms 2-(4-Methoxyphenyl)-3-(2-nitrophenyl)-3-oxo-1-propanal 2-(4-Methoxyphenyl)-3-(2-nitrophenyl)-3-oxopropanal
Wiley ID 1301927