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N-(1-adamantyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(1-adamantyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID Jrb2oOzAN5r
InChI InChI=1S/C23H31ClN4O/c24-20-25-13-28(27-20)23-10-17-4-18(11-23)6-21(5-17,12-23)19(29)26-22-7-14-1-15(8-22)3-16(2-14)9-22/h13-18H,1-12H2,(H,26,29)/t14-,15+,16-,17?,18?,21?,22-,23?
InChIKey BQMHPGGVLMSMIO-HZOCFGSPSA-N
Mol Weight 414.98 g/mol
Molecular Formula C23H31ClN4O
Exact Mass 414.218639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GyTZ7wY7mK5
Name N-(1-adamantyl)-3-(3-chloro-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/C23H31ClN4O/c24-20-25-13-28(27-20)23-10-17-4-18(11-23)6-21(5-17,12-23)19(29)26-22-7-14-1-15(8-22)3-16(2-14)9-22/h13-18H,1-12H2,(H,26,29)/t14-,15+,16-,17?,18?,21?,22-,23?
InChIKey BQMHPGGVLMSMIO-HZOCFGSPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18943
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/9131918; UBI_ID: UBI-018946
Temperature 318 °C