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5-chloro-N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-nitrobenzamide

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5-chloro-N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-nitrobenzamide
SpectraBase Compound ID 3GyXXrHn5nG
InChI InChI=1S/C21H22ClN3O3S/c1-4-21(2,3)12-5-7-14-16(11-23)20(29-18(14)9-12)24-19(26)15-10-13(22)6-8-17(15)25(27)28/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,24,26)
InChIKey VQPVWWRIJNKDHO-UHFFFAOYSA-N
Mol Weight 431.94 g/mol
Molecular Formula C21H22ClN3O3S
Exact Mass 431.10704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5FonUuPghFQ
Name 5-chloro-N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-nitrobenzamide
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/C21H22ClN3O3S/c1-4-21(2,3)12-5-7-14-16(11-23)20(29-18(14)9-12)24-19(26)15-10-13(22)6-8-17(15)25(27)28/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,24,26)
InChIKey VQPVWWRIJNKDHO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6740
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/8186930; UBI_ID: UBI-006742
Temperature 318 °C