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(2E,6E)-2,6-bis[4-(methylsulfanyl)benzylidene]cyclohexanone
SpectraBase Compound ID F7sQNJt1C7r
InChI InChI=1S/C22H22OS2/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3/b18-14+,19-15+
InChIKey ZGAFELCIIKZPBL-JSAVKQRWSA-N
Mol Weight 366.54 g/mol
Molecular Formula C22H22OS2
Exact Mass 366.111208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gk6GYnzjjrd
Name (2E,6E)-2,6-bis[4-(methylsulfanyl)benzylidene]cyclohexanone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.111207675 u
Formula C22H22OS2
InChI InChI=1S/C22H22OS2/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3/b18-14+,19-15+
InChIKey ZGAFELCIIKZPBL-JSAVKQRWSA-N
Molecular Weight 366.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3954
Solvent DMSO-d6
Source Vendor ID: NMR/12308551