4-[2-(1-adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester

SpectraBase Compound ID	LrWSqydmPKJ
InChI	InChI=1S/C22H30N2O3S/c1-2-26-20(25)18-3-5-19(6-4-18)24-21(28)23-7-8-27-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H2,23,24,28)/t15-,16+,17-,22-
InChIKey	QHWZOXOVJLOLHS-OMOYSXNNSA-N Google Search
Mol Weight	402.55 g/mol
Molecular Formula	C22H30N2O3S
Exact Mass	402.197714 g/mol

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SpectraBase Spectrum ID	Lwfhu1K70LW
Name	benzoic acid, 4-[[[[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]amino]carbonothioyl]amino]-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	402.197714005 u
Formula	C22H30N2O3S
InChI	InChI=1S/C22H30N2O3S/c1-2-26-20(25)18-3-5-19(6-4-18)24-21(28)23-7-8-27-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H2,23,24,28)/t15-,16+,17-,22-
InChIKey	QHWZOXOVJLOLHS-OMOYSXNNSA-N
Molecular Weight	402.553 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15777
Solvent	DMSO-d6
Source	Vendor ID: NMR/11241799; Lab Info: PE; Lab Number: PE-0030126