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4-piperidinone, 1-ethyl-3,5-bis[(3-nitrophenyl)methylene]-, (3E,5E)-
SpectraBase Compound ID BtHCr8ITHo7
InChI InChI=1S/C21H19N3O5/c1-2-22-13-17(9-15-5-3-7-19(11-15)23(26)27)21(25)18(14-22)10-16-6-4-8-20(12-16)24(28)29/h3-12H,2,13-14H2,1H3/b17-9+,18-10+
InChIKey ISTYUYUNBPSMOU-BEQMOXJMSA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79pvYxEFEmC
Name 4-piperidinone, 1-ethyl-3,5-bis[(3-nitrophenyl)methylene]-, (3E,5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.132470719 u
Formula C21H19N3O5
InChI InChI=1S/C21H19N3O5/c1-2-22-13-17(9-15-5-3-7-19(11-15)23(26)27)21(25)18(14-22)10-16-6-4-8-20(12-16)24(28)29/h3-12H,2,13-14H2,1H3/b17-9+,18-10+
InChIKey ISTYUYUNBPSMOU-BEQMOXJMSA-N
Molecular Weight 393.399 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_281
Solvent DMSO-d6
Source Vendor ID: NMR/13238596