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Benzenepropanal, 4,5-dimethoxy-.alpha.-(4-methylphenyl)-2-nitro-.beta.-oxo-
SpectraBase Compound ID FFL36DuSe9g
InChI InChI=1S/C18H17NO6/c1-11-4-6-12(7-5-11)14(10-20)18(21)13-8-16(24-2)17(25-3)9-15(13)19(22)23/h4-10,14H,1-3H3
InChIKey HOBZVBCHTSEFPD-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C18H17NO6
Exact Mass 343.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtXVuHmFHyi
Name Benzenepropanal, 4,5-dimethoxy-.alpha.-(4-methylphenyl)-2-nitro-.beta.-oxo-
Alternate Name(s) 2-(4-Methylphenyl)-3-(2-nitro-4,5-dimethoxyphenyl)-3-oxo-1-propanal 3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methylphenyl)-3-oxopropanal
CAS Registry Number 74599-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO6
InChI InChI=1S/C18H17NO6/c1-11-4-6-12(7-5-11)14(10-20)18(21)13-8-16(24-2)17(25-3)9-15(13)19(22)23/h4-10,14H,1-3H3
InChIKey HOBZVBCHTSEFPD-UHFFFAOYSA-N
Molecular Weight 343.335 g/mol
SMILES c1(c(N(=O)=O)cc(c(c1)OC)OC)C(C(c1ccc(cc1)C)C=O)=O
SPLASH splash10-00kb-0690000000-df5384f593dfe3bc6321
Source of Spectrum O-19-483-16
Wiley ID 1337244