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methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID LTR6GPWLiTm
InChI InChI=1S/C20H21Cl2NO4S/c1-26-20(25)18-13-6-4-2-3-5-7-16(13)28-19(18)23-17(24)11-27-15-9-8-12(21)10-14(15)22/h8-10H,2-7,11H2,1H3,(H,23,24)
InChIKey OOERUCUMUURVIS-UHFFFAOYSA-N
Mol Weight 442.36 g/mol
Molecular Formula C20H21Cl2NO4S
Exact Mass 441.056835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KY7tkzcXq6n
Name methyl 2-{[(2,4-dichlorophenoxy)acetyl]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/C20H21Cl2NO4S/c1-26-20(25)18-13-6-4-2-3-5-7-16(13)28-19(18)23-17(24)11-27-15-9-8-12(21)10-14(15)22/h8-10H,2-7,11H2,1H3,(H,23,24)
InChIKey OOERUCUMUURVIS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5719
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/8169790; UBI_ID: UBI-005721
Temperature 318 °C