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3-benzyl-2-thioxo-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HxFIfn4g3Nr
InChI InChI=1S/C18H18N2OS2/c21-17-15-13-9-5-2-6-10-14(13)23-16(15)19-18(22)20(17)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,22)
InChIKey HBAIXEBNGLFMGN-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C18H18N2OS2
Exact Mass 342.086056 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JsDsxoYHSP
Name 3-benzyl-2-thioxo-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
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/C18H18N2OS2/c21-17-15-13-9-5-2-6-10-14(13)23-16(15)19-18(22)20(17)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,22)
InChIKey HBAIXEBNGLFMGN-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11966
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 800823; Labnumber: AE95-538; VK_ID: VK-011971
Temperature 318 °C