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N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 7QbPpXjD90B
InChI InChI=1S/C21H23Cl2NOS/c1-11(21-8-12-4-13(9-21)6-14(5-12)10-21)24-20(25)19-18(23)16-3-2-15(22)7-17(16)26-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,24,25)/t11?,12-,13+,14-,21-
InChIKey XLAGODFVKWSRES-QTPSHQATSA-N
Mol Weight 408.39 g/mol
Molecular Formula C21H23Cl2NOS
Exact Mass 407.087741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KbwsPZbneY3
Name N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
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/C21H23Cl2NOS/c1-11(21-8-12-4-13(9-21)6-14(5-12)10-21)24-20(25)19-18(23)16-3-2-15(22)7-17(16)26-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,24,25)/t11?,12-,13+,14-,21-
InChIKey XLAGODFVKWSRES-QTPSHQATSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12111
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: D58961; Labnumber: SPMOSE-0768; SBI_ID: SBI-012114
Temperature 308 °C