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2,2-Diethoxy-6-nitro-5-phenylhexan-3-one

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

2,2-Diethoxy-6-nitro-5-phenylhexan-3-one
SpectraBase Compound ID DEc3c186bEn
InChI InChI=1S/C16H23NO5/c1-4-21-16(3,22-5-2)15(18)11-14(12-17(19)20)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3
InChIKey RTAMNEQGCNQQIQ-UHFFFAOYSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9q7L3FTkoA
Name 2,2-Diethoxy-6-nitro-5-phenylhexan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.157622840 u
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-4-21-16(3,22-5-2)15(18)11-14(12-17(19)20)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3
InChIKey RTAMNEQGCNQQIQ-UHFFFAOYSA-N
SMILES C(N(=O)=O)C(CC(C(OCC)(OCC)C)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970893