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Benzenepropanal, .alpha.-(4-butoxyphenyl)-2-nitro-.beta.-oxo-
SpectraBase Compound ID 4Oj5XpaQdZy
InChI InChI=1S/C19H19NO5/c1-2-3-12-25-15-10-8-14(9-11-15)17(13-21)19(22)16-6-4-5-7-18(16)20(23)24/h4-11,13,17H,2-3,12H2,1H3
InChIKey TXBJOKWLPHYSTN-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KYt8Dam6xq
Name Benzenepropanal, .alpha.-(4-butoxyphenyl)-2-nitro-.beta.-oxo-
Alternate Name(s) 2-(4-butoxyphenyl)-3-(2-nitrophenyl)-3-oxopropanal 2-(4-n-butoxyphenyl)-3-(2-nitrophenyl)-3-oxo-1-propanal
CAS Registry Number 81883-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-2-3-12-25-15-10-8-14(9-11-15)17(13-21)19(22)16-6-4-5-7-18(16)20(23)24/h4-11,13,17H,2-3,12H2,1H3
InChIKey TXBJOKWLPHYSTN-UHFFFAOYSA-N
Molecular Weight 341.363 g/mol
SMILES c1(N(=O)=O)c(C(C(c2ccc(cc2)OCCCC)C=O)=O)cccc1
SPLASH splash10-0fba-0492000000-9de1edb6893a725fa3c0
Source of Spectrum O-19-483-13
Wiley ID 1335920