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acetic acid, [[3a,4,6,6a-tetrahydro-1-[(2-methoxyphenyl)methyl]-5,5-dioxido-1H-thieno[3,4-d]imidazol-2-yl]thio]-, ethyl ester

View entire compound with spectra: 1 NMR

acetic acid, [[3a,4,6,6a-tetrahydro-1-[(2-methoxyphenyl)methyl]-5,5-dioxido-1H-thieno[3,4-d]imidazol-2-yl]thio]-, ethyl ester
SpectraBase Compound ID 49zCGpGPWVq
InChI InChI=1S/C17H22N2O5S2/c1-3-24-16(20)9-25-17-18-13-10-26(21,22)11-14(13)19(17)8-12-6-4-5-7-15(12)23-2/h4-7,13-14H,3,8-11H2,1-2H3
InChIKey NAIMTMVRKPSLFC-UHFFFAOYSA-N
Mol Weight 398.49 g/mol
Molecular Formula C17H22N2O5S2
Exact Mass 398.097014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gg32ATVREuy
Name acetic acid, [[3a,4,6,6a-tetrahydro-1-[(2-methoxyphenyl)methyl]-5,5-dioxido-1H-thieno[3,4-d]imidazol-2-yl]thio]-, ethyl ester
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/C17H22N2O5S2/c1-3-24-16(20)9-25-17-18-13-10-26(21,22)11-14(13)19(17)8-12-6-4-5-7-15(12)23-2/h4-7,13-14H,3,8-11H2,1-2H3
InChIKey NAIMTMVRKPSLFC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6113
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: F27125; Labnumber: ExLab-198591