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3-(6-bromanyl-3-butyl-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(6-bromanyl-3-butyl-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate
SpectraBase Compound ID 7ykAYwpnrzA
InChI InChI=1S/C17H20BrNO2S/c1-3-4-5-13-11(2)19-15-7-6-12(18)10-14(15)17(13)22-9-8-16(20)21/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKey OJXCEQHDIRWCMK-UHFFFAOYSA-N
Mol Weight 382.32 g/mol
Molecular Formula C17H20BrNO2S
Exact Mass 381.039813 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FES0ktmRX4L
Name propanoic acid, 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.039813060 u
Formula C17H20BrNO2S
InChI InChI=1S/C17H20BrNO2S/c1-3-4-5-13-11(2)19-15-7-6-12(18)10-14(15)17(13)22-9-8-16(20)21/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKey OJXCEQHDIRWCMK-UHFFFAOYSA-N
Molecular Weight 382.316 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16271
Solvent DMSO-d6
Source Vendor ID: ZI/10038355; Lab Info: DUR; Lab Number: DUR-AD00751