beta-alanine, N,N-diethyl-, 2-[(phenylmethyl)thio]cyclohexyl ester

SpectraBase Compound ID	YQ91NbXbAp
InChI	InChI=1S/C20H31NO2S/c1-3-21(4-2)15-14-20(22)23-18-12-8-9-13-19(18)24-16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3
InChIKey	NBPFFEVWLSZAIU-UHFFFAOYSA-N Google Search
Mol Weight	349.53 g/mol
Molecular Formula	C20H31NO2S
Exact Mass	349.20755 g/mol

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SpectraBase Spectrum ID	2d0wfuJLL02
Name	beta-alanine, N,N-diethyl-, 2-[(phenylmethyl)thio]cyclohexyl ester
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/C20H31NO2S/c1-3-21(4-2)15-14-20(22)23-18-12-8-9-13-19(18)24-16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3
InChIKey	NBPFFEVWLSZAIU-UHFFFAOYSA-N
NMR Offset	14.4257
NMR Spectrometer Frequency	250.133
Observed nucleus	1H
Origin	1H_ASIOH_8516_6515
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	CDCl3
Source File Reference	VendorID: ZI/6062664; Labnumber: KAL-0130; IOH_ID: IOH-013519
Temperature	297 °C