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N-(2-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)-N,N-dimethyl-1-hexadecanaminium bromide
SpectraBase Compound ID 40ntrCTaGCV
InChI InChI=1S/C37H67NO3.BrH/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38(8,9)27-28-41-34(39)25-24-31-29-32(36(2,3)4)35(40)33(30-31)37(5,6)7;/h29-30H,10-28H2,1-9H3;1H
InChIKey YSNNGRGIVXRCFE-UHFFFAOYSA-N
Mol Weight 654.9 g/mol
Molecular Formula C37H68BrNO3
Exact Mass 653.438258 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3QSK0JQlsvt
Name N-(2-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)-N,N-dimethyl-1-hexadecanaminium bromide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C37H67NO3.BrH/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38(8,9)27-28-41-34(39)25-24-31-29-32(36(2,3)4)35(40)33(30-31)37(5,6)7;/h29-30H,10-28H2,1-9H3;1H
InChIKey YSNNGRGIVXRCFE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9215
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: N05654; Labnumber: DOP-107; VK_ID: VK-009219
Temperature 318 °C