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ethyl 2-[({[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-[({[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DsMx4ToXz3Y
InChI InChI=1S/C21H23N5O4S2/c1-3-30-20(28)18-15-6-4-5-7-16(15)32-19(18)22-17(27)12-31-21-23-24-25-26(21)13-8-10-14(29-2)11-9-13/h8-11H,3-7,12H2,1-2H3,(H,22,27)
InChIKey HMZNUMYNBBTHDT-UHFFFAOYSA-N
Mol Weight 473.57 g/mol
Molecular Formula C21H23N5O4S2
Exact Mass 473.119147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7scIShsNpRn
Name ethyl 2-[({[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]-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/C21H23N5O4S2/c1-3-30-20(28)18-15-6-4-5-7-16(15)32-19(18)22-17(27)12-31-21-23-24-25-26(21)13-8-10-14(29-2)11-9-13/h8-11H,3-7,12H2,1-2H3,(H,22,27)
InChIKey HMZNUMYNBBTHDT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6078
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: NMR/11242287; Labnumber: SAD-0002930; IOH_ID: IOH-006079