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ethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Cxe3p9hQS0b
InChI InChI=1S/C20H18ClNO3S2/c1-2-25-20(24)15-11-7-3-5-9-13(11)27-19(15)22-18(23)17-16(21)12-8-4-6-10-14(12)26-17/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,22,23)
InChIKey GFYFSSWQZGJBPC-UHFFFAOYSA-N
Mol Weight 419.94 g/mol
Molecular Formula C20H18ClNO3S2
Exact Mass 419.041663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LZrv5u2FaWx
Name ethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-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/C20H18ClNO3S2/c1-2-25-20(24)15-11-7-3-5-9-13(11)27-19(15)22-18(23)17-16(21)12-8-4-6-10-14(12)26-17/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,22,23)
InChIKey GFYFSSWQZGJBPC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2147
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: 6157703; UBI_ID: UBI-002148
Temperature 308 °C