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4-cyano-N-(3,4-dimethoxyphenethyl)-N-methyl-4-(o-tolyl)butan-1-aminium carboxyformate

View entire compound with spectra: 1 NMR

4-cyano-N-(3,4-dimethoxyphenethyl)-N-methyl-4-(o-tolyl)butan-1-aminium carboxyformate
SpectraBase Compound ID EXblKJ1xGMO
InChI InChI=1S/C23H30N2O2.C2H2O4/c1-18-8-5-6-10-21(18)20(17-24)9-7-14-25(2)15-13-19-11-12-22(26-3)23(16-19)27-4;3-1(4)2(5)6/h5-6,8,10-12,16,20H,7,9,13-15H2,1-4H3;(H,3,4)(H,5,6)
InChIKey GWGONTQEGAXHGN-UHFFFAOYSA-N
Mol Weight 456.54 g/mol
Molecular Formula C25H32N2O6
Exact Mass 456.226037 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RI5zA2kdHO
Name 4-cyano-N-(3,4-dimethoxyphenethyl)-N-methyl-4-(o-tolyl)butan-1-aminium carboxyformate
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/C23H30N2O2.C2H2O4/c1-18-8-5-6-10-21(18)20(17-24)9-7-14-25(2)15-13-19-11-12-22(26-3)23(16-19)27-4;3-1(4)2(5)6/h5-6,8,10-12,16,20H,7,9,13-15H2,1-4H3;(H,3,4)(H,5,6)
InChIKey GWGONTQEGAXHGN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17631
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: 987/00005880; Labnumber: 987/00005880218872; VK_ID: VK-017636
Temperature 318 °C