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(2E)-2-butenedioic acid compound with 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-isopropyl-2-phenylpentanenitrile (1:1)
SpectraBase Compound ID 3g95hEvcMv
InChI InChI=1S/C24H32N2O2.C4H4O4/c1-19(2)24(18-25,21-9-6-5-7-10-21)14-8-15-26-16-13-20-11-12-22(27-3)23(17-20)28-4;5-3(6)1-2-4(7)8/h5-7,9-12,17,19,26H,8,13-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey AJETUBZVLPJEAW-WLHGVMLRSA-N
Mol Weight 496.6 g/mol
Molecular Formula C28H36N2O6
Exact Mass 496.257337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AN7IaDNZgez
Name (2E)-2-butenedioic acid compound with 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-isopropyl-2-phenylpentanenitrile (1:1)
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/C24H32N2O2.C4H4O4/c1-19(2)24(18-25,21-9-6-5-7-10-21)14-8-15-26-16-13-20-11-12-22(27-3)23(17-20)28-4;5-3(6)1-2-4(7)8/h5-7,9-12,17,19,26H,8,13-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey AJETUBZVLPJEAW-WLHGVMLRSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16696
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: 987/00004242; Labnumber: 987/00004242218851; VK_ID: VK-016701
Synonyms 2-butenedioic acid compound with 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-isopropyl-2-phenylpentanenitrile (1:1)
Temperature 308 °C