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ethyl 2-[(3,5-dimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID GevqC2ZpiYF
InChI InChI=1S/C22H27NO5S/c1-4-28-22(25)19-17-9-7-5-6-8-10-18(17)29-21(19)23-20(24)14-11-15(26-2)13-16(12-14)27-3/h11-13H,4-10H2,1-3H3,(H,23,24)
InChIKey XMOMHONWQIIKAW-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sOlkBYZhff
Name ethyl 2-[(3,5-dimethoxybenzoyl)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/C22H27NO5S/c1-4-28-22(25)19-17-9-7-5-6-8-10-18(17)29-21(19)23-20(24)14-11-15(26-2)13-16(12-14)27-3/h11-13H,4-10H2,1-3H3,(H,23,24)
InChIKey XMOMHONWQIIKAW-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_13910
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/8150465; Labnumber: NSB0047622; UZI_ID: UZI-013914
Temperature 313 °C