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methyl 2-isothiocyanato-5-methyl-4-phenyl-3-thiophenecarboxylate

View entire compound with spectra: 1 NMR

methyl 2-isothiocyanato-5-methyl-4-phenyl-3-thiophenecarboxylate
SpectraBase Compound ID 1uHC7kpqFiO
InChI InChI=1S/C14H11NO2S2/c1-9-11(10-6-4-3-5-7-10)12(14(16)17-2)13(19-9)15-8-18/h3-7H,1-2H3
InChIKey QLXOIMIFROYUOX-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C14H11NO2S2
Exact Mass 289.023121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FVqH34CQGyL
Name methyl 2-isothiocyanato-5-methyl-4-phenyl-3-thiophenecarboxylate
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/C14H11NO2S2/c1-9-11(10-6-4-3-5-7-10)12(14(16)17-2)13(19-9)15-8-18/h3-7H,1-2H3
InChIKey QLXOIMIFROYUOX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7501
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/1269101; Labnumber: COL5268; UZI_ID: UZI-007503
Temperature 318 °C