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(3E,5E)-1-isopropyl-3,5-bis(3-nitrobenzylidene)-4-piperidinone
SpectraBase Compound ID 16zGSRHbGPg
InChI InChI=1S/C22H21N3O5/c1-15(2)23-13-18(9-16-5-3-7-20(11-16)24(27)28)22(26)19(14-23)10-17-6-4-8-21(12-17)25(29)30/h3-12,15H,13-14H2,1-2H3/b18-9+,19-10+
InChIKey CDFXQSXSQKNXPZ-VNIJRHKQSA-N
Mol Weight 407.43 g/mol
Molecular Formula C22H21N3O5
Exact Mass 407.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkxVJwhjOd6
Name (3E,5E)-1-isopropyl-3,5-bis(3-nitrobenzylidene)-4-piperidinone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.148120783 u
Formula C22H21N3O5
InChI InChI=1S/C22H21N3O5/c1-15(2)23-13-18(9-16-5-3-7-20(11-16)24(27)28)22(26)19(14-23)10-17-6-4-8-21(12-17)25(29)30/h3-12,15H,13-14H2,1-2H3/b18-9+,19-10+
InChIKey CDFXQSXSQKNXPZ-VNIJRHKQSA-N
Molecular Weight 407.426 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1266
Solvent DMSO-d6
Source Vendor ID: NMR/12269436