For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

methyl 2-isothiocyanato-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 8VKJmR6BqcH
InChI InChI=1S/C12H13NO2S2/c1-7-3-4-8-9(5-7)17-11(13-6-16)10(8)12(14)15-2/h7H,3-5H2,1-2H3
InChIKey HMLSGWSAVOKQNI-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C1PC9qL8iUn
Name methyl 2-isothiocyanato-6-methyl-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/C12H13NO2S2/c1-7-3-4-8-9(5-7)17-11(13-6-16)10(8)12(14)15-2/h7H,3-5H2,1-2H3
InChIKey HMLSGWSAVOKQNI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8151
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/1268377; Labnumber: COL6886; UZI_ID: UZI-008153
Temperature 318 °C