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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide

View entire compound with spectra: 1 NMR

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide
SpectraBase Compound ID Hux73i7H14x
InChI InChI=1S/C24H32N2OS/c1-23(2,3)17-4-5-18-19(13-25)21(28-20(18)9-17)26-22(27)24-10-14-6-15(11-24)8-16(7-14)12-24/h14-17H,4-12H2,1-3H3,(H,26,27)/t14-,15+,16-,17?,24-
InChIKey AJHWFZCYBJCFIS-JRFJJFRHSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H32N2OS
Exact Mass 396.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ld5qImx7wEj
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide
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/C24H32N2OS/c1-23(2,3)17-4-5-18-19(13-25)21(28-20(18)9-17)26-22(27)24-10-14-6-15(11-24)8-16(7-14)12-24/h14-17H,4-12H2,1-3H3,(H,26,27)/t14-,15+,16-,17?,24-
InChIKey AJHWFZCYBJCFIS-JRFJJFRHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2429
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: 8060935; UBI_ID: UBI-002430
Temperature 318 °C