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

SpectraBase Compound ID	6umIXSUOEsW
InChI	InChI=1S/C18H27NO2S/c1-19(2)13-12-18(20)21-16-10-6-7-11-17(16)22-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3
InChIKey	RJVJFLGTJHRFNW-UHFFFAOYSA-N Google Search
Mol Weight	321.48 g/mol
Molecular Formula	C18H27NO2S
Exact Mass	321.17625 g/mol

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SpectraBase Spectrum ID	uvfeyoEvNI
Name	beta-alanine, N,N-dimethyl-, 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/C18H27NO2S/c1-19(2)13-12-18(20)21-16-10-6-7-11-17(16)22-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3
InChIKey	RJVJFLGTJHRFNW-UHFFFAOYSA-N
NMR Offset	15.8392
NMR Spectrometer Frequency	250.133
Observed nucleus	1H
Origin	1H_ASIOH_8516_6516
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/6062858; Labnumber: KAL-0129; IOH_ID: IOH-013520
Temperature	300 °C