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methyl 2-isothiocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID Ai2lcXhppIu
InChI InChI=1S/C12H13NO2S2/c1-15-12(14)10-8-5-3-2-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3
InChIKey VNBQHESWEMVAQR-UHFFFAOYSA-N
Mol Weight 267.36 g/mol
Molecular Formula C12H13NO2S2
Exact Mass 267.038771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JL7HpsdcokH
Name methyl 2-isothiocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C12H13NO2S2/c1-15-12(14)10-8-5-3-2-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3
InChIKey VNBQHESWEMVAQR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7757
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/1269869; Labnumber: COL6067; UZI_ID: UZI-007759
Temperature 318 °C