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3-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-2-yl thiocyanate
SpectraBase Compound ID 1JAu2hnHa93
InChI InChI=1S/C16H14N2OS2/c17-10-20-16-14(12-8-4-5-9-13(12)21-16)18-15(19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChIKey GCSGAGNRZPCQIY-UHFFFAOYSA-N
Mol Weight 314.42 g/mol
Molecular Formula C16H14N2OS2
Exact Mass 314.054755 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1LExQceieFX
Name 3-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-2-yl thiocyanate
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/C16H14N2OS2/c17-10-20-16-14(12-8-4-5-9-13(12)21-16)18-15(19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChIKey GCSGAGNRZPCQIY-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3314
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: ZI/6014469; Labnumber: SMM-1056; IOH_ID: IOH-003315
Temperature 297 °C