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3-({1-ethyl-1-methyl-4-[(2S)-2-(3-pyridinyl)piperidinyl]-2-butynyl}oxy)propanenitrile
SpectraBase Compound ID HruzmHLAmAb
InChI InChI=1S/C20H27N3O/c1-3-20(2,24-16-8-12-21)11-7-15-23-14-5-4-10-19(23)18-9-6-13-22-17-18/h6,9,13,17,19H,3-5,8,10,14-16H2,1-2H3
InChIKey KBFGKQRTONEQHI-UHFFFAOYSA-N
Mol Weight 325.46 g/mol
Molecular Formula C20H27N3O
Exact Mass 325.215413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2FWUZpZMMYH
Name 3-({1-ethyl-1-methyl-4-[(2S)-2-(3-pyridinyl)piperidinyl]-2-butynyl}oxy)propanenitrile
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/C20H27N3O/c1-3-20(2,24-16-8-12-21)11-7-15-23-14-5-4-10-19(23)18-9-6-13-22-17-18/h6,9,13,17,19H,3-5,8,10,14-16H2,1-2H3
InChIKey KBFGKQRTONEQHI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10881
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: E03317; Labnumber: MAVNC-027; SBI_ID: SBI-010884
Synonyms 3-({1-ethyl-1-methyl-4-[2-(3-pyridinyl)piperidinyl]-2-butynyl}oxy)propanenitrile
Temperature 318 °C