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1,1-Dimethyl-4-hydroxypiperidinium methyl sulfate, 3-methyl-2-phenylvalerate

View entire compound with spectra: 2 NMR, and 1 FTIR

1,1-Dimethyl-4-hydroxypiperidinium methyl sulfate, 3-methyl-2-phenylvalerate
SpectraBase Compound ID BjEv763ENB5
InChI InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey YGURFDXYQNOJCS-UHFFFAOYSA-M
Mol Weight 415.55 g/mol
Molecular Formula C20H33NO6S
Exact Mass 415.202859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0dRosoXmWE
Name 1,1-Dimethyl-4-hydroxypiperidinium methyl sulfate, 3-methyl-2-phenylvalerate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.202858955 u
Formula C20H33NO6S
InChI InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey YGURFDXYQNOJCS-UHFFFAOYSA-M
SMILES COS(=O)([O-])=O.C=1C(=CC=CC1)C(C(OC1CC[N+](CC1)(C)C)=O)C(C)CC