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(3E,5E)-1-methyl-3,5-bis[4-(methylsulfanyl)benzylidene]-4-piperidinone
SpectraBase Compound ID CCDZq0Afec5
InChI InChI=1S/C22H23NOS2/c1-23-14-18(12-16-4-8-20(25-2)9-5-16)22(24)19(15-23)13-17-6-10-21(26-3)11-7-17/h4-13H,14-15H2,1-3H3/b18-12+,19-13+
InChIKey MZWLWOCKZOXMAV-KLCVKJMQSA-N
Mol Weight 381.55 g/mol
Molecular Formula C22H23NOS2
Exact Mass 381.122107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LdhZLjmyijp
Name (3E,5E)-1-methyl-3,5-bis[4-(methylsulfanyl)benzylidene]-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 381.122106712 u
Formula C22H23NOS2
InChI InChI=1S/C22H23NOS2/c1-23-14-18(12-16-4-8-20(25-2)9-5-16)22(24)19(15-23)13-17-6-10-21(26-3)11-7-17/h4-13H,14-15H2,1-3H3/b18-12+,19-13+
InChIKey MZWLWOCKZOXMAV-KLCVKJMQSA-N
Molecular Weight 381.552 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3957
Solvent DMSO-d6
Source Vendor ID: NMR/12308557