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methyl [4-({[3-(hydroxymethyl)-1-piperidinyl]carbothioyl}amino)phenyl]acetate
SpectraBase Compound ID AyLOhc1yhpz
InChI InChI=1S/C16H22N2O3S/c1-21-15(20)9-12-4-6-14(7-5-12)17-16(22)18-8-2-3-13(10-18)11-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,22)
InChIKey YRKCFMXLOGLBNR-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C16H22N2O3S
Exact Mass 322.135114 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID QQBHBXCehL
Name methyl [4-({[3-(hydroxymethyl)-1-piperidinyl]carbothioyl}amino)phenyl]acetate
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/C16H22N2O3S/c1-21-15(20)9-12-4-6-14(7-5-12)17-16(22)18-8-2-3-13(10-18)11-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,22)
InChIKey YRKCFMXLOGLBNR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11665
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: E09200; Labnumber: VGU-21430; SBI_ID: SBI-011668
Temperature 318 °C