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5-benzyl-1-(3-chloro-4-fluorophenyl)tetrahydro-1,3,5-triazine-2(1H)-thione

View entire compound with spectra: 2 NMR

5-benzyl-1-(3-chloro-4-fluorophenyl)tetrahydro-1,3,5-triazine-2(1H)-thione
SpectraBase Compound ID BZUna4Upsyi
InChI InChI=1S/C16H15ClFN3S/c17-14-8-13(6-7-15(14)18)21-11-20(10-19-16(21)22)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,22)
InChIKey PCROMJZZBMZTRA-UHFFFAOYSA-N
Mol Weight 335.83 g/mol
Molecular Formula C16H15ClFN3S
Exact Mass 335.065925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID n3LMeoDp4q
Name 5-benzyl-1-(3-chloro-4-fluorophenyl)tetrahydro-1,3,5-triazine-2(1H)-thione
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/C16H15ClFN3S/c17-14-8-13(6-7-15(14)18)21-11-20(10-19-16(21)22)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,22)
InChIKey PCROMJZZBMZTRA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3297
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: D10085; Labnumber: KHAN-0757; SBI_ID: SBI-003299
Temperature 308 °C