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methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AcBaEF6g993
InChI InChI=1S/C11H11NO2S2/c1-14-11(13)9-7-4-2-3-5-8(7)16-10(9)12-6-15/h2-5H2,1H3
InChIKey JKVSSDPOTCLFKE-UHFFFAOYSA-N
Mol Weight 253.33 g/mol
Molecular Formula C11H11NO2S2
Exact Mass 253.023121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fbbtb5PnUVX
Name methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-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/C11H11NO2S2/c1-14-11(13)9-7-4-2-3-5-8(7)16-10(9)12-6-15/h2-5H2,1H3
InChIKey JKVSSDPOTCLFKE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7672
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/1268892; Labnumber: COL5710; UZI_ID: UZI-007674
Temperature 318 °C