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Benzenepropanal, 2-nitro-.beta.-oxo-.alpha.-[4-(pentyloxy)phenyl]-
SpectraBase Compound ID ttPEBh5piu
InChI InChI=1S/C20H21NO5/c1-2-3-6-13-26-16-11-9-15(10-12-16)18(14-22)20(23)17-7-4-5-8-19(17)21(24)25/h4-5,7-12,14,18H,2-3,6,13H2,1H3
InChIKey GJZVYAZXJQWJRM-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5j80S64JUlh
Name Benzenepropanal, 2-nitro-.beta.-oxo-.alpha.-[4-(pentyloxy)phenyl]-
Alternate Name(s) 3-(2-Nitrophenyl)-3-oxo-2-(4-n-pentyloxyphenyl)-1-propanal 3-(2-nitrophenyl)-3-oxo-2-[4-(pentyloxy)phenyl]propanal
CAS Registry Number 81884-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-2-3-6-13-26-16-11-9-15(10-12-16)18(14-22)20(23)17-7-4-5-8-19(17)21(24)25/h4-5,7-12,14,18H,2-3,6,13H2,1H3
InChIKey GJZVYAZXJQWJRM-UHFFFAOYSA-N
Molecular Weight 355.390 g/mol
SMILES c1(N(=O)=O)c(C(C(c2ccc(cc2)OCCCCC)C=O)=O)cccc1
SPLASH splash10-0a4i-0739000000-44af193b1878633a5617
Source of Spectrum O-19-483-14
Wiley ID 1345279