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methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 1g1G7wfR4e1
InChI InChI=1S/C19H19ClN2O5S/c1-27-19(24)16-12-6-4-2-3-5-7-15(12)28-18(16)21-17(23)13-10-11(20)8-9-14(13)22(25)26/h8-10H,2-7H2,1H3,(H,21,23)
InChIKey QYLMSVNLJVWWLB-UHFFFAOYSA-N
Mol Weight 422.88 g/mol
Molecular Formula C19H19ClN2O5S
Exact Mass 422.070321 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HuUJOU4G9sI
Name methyl 2-[(5-chloro-2-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/C19H19ClN2O5S/c1-27-19(24)16-12-6-4-2-3-5-7-15(12)28-18(16)21-17(23)13-10-11(20)8-9-14(13)22(25)26/h8-10H,2-7H2,1H3,(H,21,23)
InChIKey QYLMSVNLJVWWLB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13459
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/8071282; Labnumber: NSB0030903; UZI_ID: UZI-013463
Temperature 318 °C