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ethyl 2-isothiocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID CDHkZoonoVc
InChI InChI=1S/C13H15NO2S2/c1-2-16-13(15)11-9-6-4-3-5-7-10(9)18-12(11)14-8-17/h2-7H2,1H3
InChIKey NZNGZPCQJQVDMS-UHFFFAOYSA-N
Mol Weight 281.39 g/mol
Molecular Formula C13H15NO2S2
Exact Mass 281.054421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2ZTdkK9JTD
Name ethyl 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/C13H15NO2S2/c1-2-16-13(15)11-9-6-4-3-5-7-10(9)18-12(11)14-8-17/h2-7H2,1H3
InChIKey NZNGZPCQJQVDMS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8259
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/1269160; Labnumber: COL7272; UZI_ID: UZI-008261
Temperature 318 °C