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N-(2-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)-N,N-dimethyl-1-dodecanaminium bromide
SpectraBase Compound ID 6ZenOtabQv9
InChI InChI=1S/C33H59NO3.BrH/c1-10-11-12-13-14-15-16-17-18-19-22-34(8,9)23-24-37-30(35)21-20-27-25-28(32(2,3)4)31(36)29(26-27)33(5,6)7;/h25-26H,10-24H2,1-9H3;1H
InChIKey AJPIFBLGOYEBIK-UHFFFAOYSA-N
Mol Weight 598.8 g/mol
Molecular Formula C33H60BrNO3
Exact Mass 597.375658 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3B2RZGJQJTE
Name N-(2-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)-N,N-dimethyl-1-dodecanaminium 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/C33H59NO3.BrH/c1-10-11-12-13-14-15-16-17-18-19-22-34(8,9)23-24-37-30(35)21-20-27-25-28(32(2,3)4)31(36)29(26-27)33(5,6)7;/h25-26H,10-24H2,1-9H3;1H
InChIKey AJPIFBLGOYEBIK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9216
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: N05699; Labnumber: DOP-217; VK_ID: VK-009220
Temperature 318 °C