alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester

SpectraBase Compound ID	67JjDRBMRE8
InChI	InChI=1S/C19H24F3N3O3S/c1-3-5-10-15(26)24-18(19(20,21)22,17(27)28-4-2)25-16-13(11-23)12-8-6-7-9-14(12)29-16/h25H,3-10H2,1-2H3,(H,24,26)
InChIKey	KJNMVACUDHDZOI-UHFFFAOYSA-N Google Search
Mol Weight	431.47 g/mol
Molecular Formula	C19H24F3N3O3S
Exact Mass	431.149047 g/mol

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SpectraBase Spectrum ID	FHxSD7kDZRJ
Name	ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate
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/C19H24F3N3O3S/c1-3-5-10-15(26)24-18(19(20,21)22,17(27)28-4-2)25-16-13(11-23)12-8-6-7-9-14(12)29-16/h25H,3-10H2,1-2H3,(H,24,26)
InChIKey	KJNMVACUDHDZOI-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_443
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: C27151; Labnumber: SOK-1071; SBI_ID: SBI-000445
Temperature	308 °C