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isopropyl 2-[(3-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Lpl6BnvN0fR
InChI InChI=1S/C21H25NO4S/c1-12(2)26-21(24)18-16-9-8-13(3)10-17(16)27-20(18)22-19(23)14-6-5-7-15(11-14)25-4/h5-7,11-13H,8-10H2,1-4H3,(H,22,23)
InChIKey CACIYJUTHOEMOU-UHFFFAOYSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 31JAvBuNaJU
Name isopropyl 2-[(3-methoxybenzoyl)amino]-6-methyl-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/C21H25NO4S/c1-12(2)26-21(24)18-16-9-8-13(3)10-17(16)27-20(18)22-19(23)14-6-5-7-15(11-14)25-4/h5-7,11-13H,8-10H2,1-4H3,(H,22,23)
InChIKey CACIYJUTHOEMOU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12285
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/6225881; Labnumber: NSB0005770; UZI_ID: UZI-012288
Temperature 318 °C