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methyl 2-isothiocyanato-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 3OyD5HmbLUX
InChI InChI=1S/C8H7NO2S2/c1-5-3-6(8(10)11-2)7(13-5)9-4-12/h3H,1-2H3
InChIKey MOIJNRCYLJNXBP-UHFFFAOYSA-N
Mol Weight 213.27 g/mol
Molecular Formula C8H7NO2S2
Exact Mass 212.991821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FTkKA6FmOfV
Name methyl 2-isothiocyanato-5-methyl-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/C8H7NO2S2/c1-5-3-6(8(10)11-2)7(13-5)9-4-12/h3H,1-2H3
InChIKey MOIJNRCYLJNXBP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7086
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/1267330; Labnumber: COL4133; UZI_ID: UZI-007088
Temperature 318 °C