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N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 1qRbIjxJWCK
InChI InChI=1S/C24H29N5OS/c25-12-19-18-5-3-1-2-4-6-20(18)31-21(19)28-22(30)23-8-16-7-17(9-23)11-24(10-16,13-23)29-15-26-14-27-29/h14-17H,1-11,13H2,(H,28,30)
InChIKey ZJEODZCNGXFZDY-UHFFFAOYSA-N
Mol Weight 435.59 g/mol
Molecular Formula C24H29N5OS
Exact Mass 435.209282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A7yDGxBbihR
Name N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-3-(1H-1,2,4-triazol-1-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/C24H29N5OS/c25-12-19-18-5-3-1-2-4-6-20(18)31-21(19)28-22(30)23-8-16-7-17(9-23)11-24(10-16,13-23)29-15-26-14-27-29/h14-17H,1-11,13H2,(H,28,30)
InChIKey ZJEODZCNGXFZDY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10604
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/9073927; UBI_ID: UBI-010607
Temperature 308 °C