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isopropyl 2-{[(4-nitrophenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID J25i5avZntL
InChI InChI=1S/C20H22N2O5S/c1-12(2)27-20(24)18-15-5-3-4-6-16(15)28-19(18)21-17(23)11-13-7-9-14(10-8-13)22(25)26/h7-10,12H,3-6,11H2,1-2H3,(H,21,23)
InChIKey VOSIUPUWLNASNF-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lv4yEosXiZG
Name isopropyl 2-{[(4-nitrophenyl)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/C20H22N2O5S/c1-12(2)27-20(24)18-15-5-3-4-6-16(15)28-19(18)21-17(23)11-13-7-9-14(10-8-13)22(25)26/h7-10,12H,3-6,11H2,1-2H3,(H,21,23)
InChIKey VOSIUPUWLNASNF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9184
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/9042128; UBI_ID: UBI-009187
Temperature 318 °C