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methyl 2-{[(3-chloroanilino)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 5ATPnvwec47
InChI InChI=1S/C18H19ClN2O3S/c1-24-17(22)15-13-8-3-2-4-9-14(13)25-16(15)21-18(23)20-12-7-5-6-11(19)10-12/h5-7,10H,2-4,8-9H2,1H3,(H2,20,21,23)
InChIKey IDICQQZGCDLESU-UHFFFAOYSA-N
Mol Weight 378.87 g/mol
Molecular Formula C18H19ClN2O3S
Exact Mass 378.080491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5gJDO2FT2iv
Name methyl 2-{[(3-chloroanilino)carbonyl]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/C18H19ClN2O3S/c1-24-17(22)15-13-8-3-2-4-9-14(13)25-16(15)21-18(23)20-12-7-5-6-11(19)10-12/h5-7,10H,2-4,8-9H2,1H3,(H2,20,21,23)
InChIKey IDICQQZGCDLESU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19776
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/9150083; UBI_ID: UBI-019780
Temperature 318 °C