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4-(Acetylethoxy)-4-(p-nitrophenyl)-3-methylenebutan-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-(Acetylethoxy)-4-(p-nitrophenyl)-3-methylenebutan-2-one
SpectraBase Compound ID DJwIcbDFG8t
InChI InChI=1S/C15H17NO5/c1-10(17)8-9-21-15(11(2)12(3)18)13-4-6-14(7-5-13)16(19)20/h4-7,15H,2,8-9H2,1,3H3
InChIKey CXMKETRAGHWFBP-UHFFFAOYSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ePXyX85VBJ
Name 4-(Acetylethoxy)-4-(p-nitrophenyl)-3-methylenebutan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.110672646 u
Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c1-10(17)8-9-21-15(11(2)12(3)18)13-4-6-14(7-5-13)16(19)20/h4-7,15H,2,8-9H2,1,3H3
InChIKey CXMKETRAGHWFBP-UHFFFAOYSA-N
SMILES C=1(N(=O)=O)C=CC(C(C(C(=O)C)=C)OCCC(=O)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812474