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ethyl 6-tert-pentyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5ckBWVTYuPK
InChI InChI=1S/C21H27NO3S2/c1-5-21(3,4)13-9-10-14-16(12-13)27-19(17(14)20(24)25-6-2)22-18(23)15-8-7-11-26-15/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,22,23)
InChIKey APWNIMXVVSYTEU-UHFFFAOYSA-N
Mol Weight 405.57 g/mol
Molecular Formula C21H27NO3S2
Exact Mass 405.143236 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8s0cszFUyO3
Name ethyl 6-tert-pentyl-2-[(2-thienylcarbonyl)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/C21H27NO3S2/c1-5-21(3,4)13-9-10-14-16(12-13)27-19(17(14)20(24)25-6-2)22-18(23)15-8-7-11-26-15/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,22,23)
InChIKey APWNIMXVVSYTEU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18827
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/9129695; UBI_ID: UBI-018830
Temperature 318 °C