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isopropyl 2-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID GN3Kb3ApuGF
InChI InChI=1S/C20H22ClNO3S/c1-12(2)25-20(24)17-14-9-4-3-5-11-16(14)26-19(17)22-18(23)13-8-6-7-10-15(13)21/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,22,23)
InChIKey HEQROZJBVWXVIC-UHFFFAOYSA-N
Mol Weight 391.91 g/mol
Molecular Formula C20H22ClNO3S
Exact Mass 391.100892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ETIuj4KbaxU
Name isopropyl 2-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C20H22ClNO3S/c1-12(2)25-20(24)17-14-9-4-3-5-11-16(14)26-19(17)22-18(23)13-8-6-7-10-15(13)21/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,22,23)
InChIKey HEQROZJBVWXVIC-UHFFFAOYSA-N
NMR Offset 14.4753
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_13897
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/8153767; Labnumber: NSB0047093; UZI_ID: UZI-013901
Temperature 313 °C