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N-[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]-1-oxo-1H-2-benzopyran-3-carboxamide
SpectraBase Compound ID CmvS9uNPTX2
InChI InChI=1S/C21H20N2O4S/c22-18(24)17-14-9-3-1-2-4-10-16(14)28-20(17)23-19(25)15-11-12-7-5-6-8-13(12)21(26)27-15/h5-8,11H,1-4,9-10H2,(H2,22,24)(H,23,25)
InChIKey BCWIPCCDFZUYAY-UHFFFAOYSA-N
Mol Weight 396.46 g/mol
Molecular Formula C21H20N2O4S
Exact Mass 396.114378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 50hCxm7GHVG
Name N-[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]-1-oxo-1H-2-benzopyran-3-carboxamide
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/C21H20N2O4S/c22-18(24)17-14-9-3-1-2-4-10-16(14)28-20(17)23-19(25)15-11-12-7-5-6-8-13(12)21(26)27-15/h5-8,11H,1-4,9-10H2,(H2,22,24)(H,23,25)
InChIKey BCWIPCCDFZUYAY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16348
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/8106177; UBI_ID: UBI-016351
Temperature 318 °C