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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, ethyl ester

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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID GPUIqdzV0wu
InChI InChI=1S/C16H20N4O3S2/c1-3-23-15(22)13-10-6-4-5-7-11(10)25-14(13)18-12(21)8-24-16-19-17-9-20(16)2/h9H,3-8H2,1-2H3,(H,18,21)
InChIKey MTZYLHAHFRPOEW-UHFFFAOYSA-N
Mol Weight 380.48 g/mol
Molecular Formula C16H20N4O3S2
Exact Mass 380.097683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CFmWFfCIGsB
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, ethyl 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/C16H20N4O3S2/c1-3-23-15(22)13-10-6-4-5-7-11(10)25-14(13)18-12(21)8-24-16-19-17-9-20(16)2/h9H,3-8H2,1-2H3,(H,18,21)
InChIKey MTZYLHAHFRPOEW-UHFFFAOYSA-N
NMR Offset 15.8392
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_6812
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/7039191; Labnumber: L-23/0004232; IOH_ID: IOH-013816
Temperature 300 °C