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methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DiL5oon7NPF
InChI InChI=1S/C25H27NO5S/c1-5-25(2,3)15-10-11-16-19(13-15)32-22(20(16)24(29)30-4)26-21(27)17-12-14-8-6-7-9-18(14)31-23(17)28/h6-9,12,15H,5,10-11,13H2,1-4H3,(H,26,27)
InChIKey ILSVGQXMXMLTNY-UHFFFAOYSA-N
Mol Weight 453.55 g/mol
Molecular Formula C25H27NO5S
Exact Mass 453.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ua4OyaKu4m
Name methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C25H27NO5S/c1-5-25(2,3)15-10-11-16-19(13-15)32-22(20(16)24(29)30-4)26-21(27)17-12-14-8-6-7-9-18(14)31-23(17)28/h6-9,12,15H,5,10-11,13H2,1-4H3,(H,26,27)
InChIKey ILSVGQXMXMLTNY-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10833
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: 1003761; UBI_ID: UBI-010836
Temperature 308 °C