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ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID ArzKXDAGfyl
InChI InChI=1S/C20H21ClN2O5S/c1-2-28-20(25)17-13-7-5-3-4-6-8-16(13)29-19(17)22-18(24)12-9-10-14(21)15(11-12)23(26)27/h9-11H,2-8H2,1H3,(H,22,24)
InChIKey QEKWIPXJOZAZPV-UHFFFAOYSA-N
Mol Weight 436.91 g/mol
Molecular Formula C20H21ClN2O5S
Exact Mass 436.085971 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Zppd3mhSke
Name ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[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/C20H21ClN2O5S/c1-2-28-20(25)17-13-7-5-3-4-6-8-16(13)29-19(17)22-18(24)12-9-10-14(21)15(11-12)23(26)27/h9-11H,2-8H2,1H3,(H,22,24)
InChIKey QEKWIPXJOZAZPV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4650
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/8123187; UBI_ID: UBI-004651
Temperature 318 °C