2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate

SpectraBase Compound ID	G0wuthjBWaY
InChI	InChI=1S/C22H29NO5S/c1-4-28-21(26)18-12(2)17(20(25)27-3)19(29-18)23-16(24)11-22-8-13-5-14(9-22)7-15(6-13)10-22/h13-15H,4-11H2,1-3H3,(H,23,24)
InChIKey	KLQPULFMFSDVQB-UHFFFAOYSA-N Google Search
Mol Weight	419.54 g/mol
Molecular Formula	C22H29NO5S
Exact Mass	419.176644 g/mol

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SpectraBase Spectrum ID	DSTCBxfZS1N
Name	2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
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/C22H29NO5S/c1-4-28-21(26)18-12(2)17(20(25)27-3)19(29-18)23-16(24)11-22-8-13-5-14(9-22)7-15(6-13)10-22/h13-15H,4-11H2,1-3H3,(H,23,24)
InChIKey	KLQPULFMFSDVQB-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_20751
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: UZI/9312881; UBI_ID: UBI-020755
Temperature	318 °C