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1-(1-adamantyl)-3-chloro-1H-1,2,4-triazole

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1-(1-adamantyl)-3-chloro-1H-1,2,4-triazole
SpectraBase Compound ID CnmYQDs3RLR
InChI InChI=1S/C12H16ClN3/c13-11-14-7-16(15-11)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2/t8-,9+,10-,12-
InChIKey XVZCJDUIUBSIKJ-GOCCLTDMSA-N
Mol Weight 237.73 g/mol
Molecular Formula C12H16ClN3
Exact Mass 237.103275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAmGfSgUm9n
Name 1-(1-adamantyl)-3-chloro-1H-1,2,4-triazole
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/C12H16ClN3/c13-11-14-7-16(15-11)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2/t8-,9+,10-,12-
InChIKey XVZCJDUIUBSIKJ-GOCCLTDMSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15067
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/6003439; UBI_ID: UBI-015070
Temperature 300 °C