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4-acetyl-3-methyl-5-phenyl-1-(prop-2-en-1-ylsulfanyl)cyclohex-3-en-1-ylium bromide

View entire compound with spectra: 1 NMR

4-acetyl-3-methyl-5-phenyl-1-(prop-2-en-1-ylsulfanyl)cyclohex-3-en-1-ylium bromide
SpectraBase Compound ID INO5QwXbA6i
InChI InChI=1S/C16H18N2OS.BrH/c1-4-10-20-16-17-11(2)14(12(3)19)15(18-16)13-8-6-5-7-9-13;/h4-9,15H,1,10H2,2-3H3,(H,17,18);1H
InChIKey QMHNIKDJJCRNPE-UHFFFAOYSA-N
Mol Weight 367.3 g/mol
Molecular Formula C16H19BrN2OS
Exact Mass 366.040147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HsIdtxLEsgo
Name 4-acetyl-3-methyl-5-phenyl-1-(prop-2-en-1-ylsulfanyl)cyclohex-3-en-1-ylium bromide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.040147413 u
Formula C16H19BrN2OS
InChI InChI=1S/C16H18N2OS.BrH/c1-4-10-20-16-17-11(2)14(12(3)19)15(18-16)13-8-6-5-7-9-13;/h4-9,15H,1,10H2,2-3H3,(H,17,18);1H
InChIKey QMHNIKDJJCRNPE-UHFFFAOYSA-N
Molecular Weight 367.305 g/mol
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4197
Solvent DMSO-d6
Source Vendor ID: NMR/9263405; Lab Info: AI; Lab Number: AI-S000839
Temperature 39.85 °C