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Adamantane-1-carboxylic acid, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Adamantane-1-carboxylic acid, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID HzAeIXMRg3Z
InChI InChI=1S/C13H16ClN3O2/c14-11-15-7-17(16-11)13-4-8-1-9(5-13)3-12(2-8,6-13)10(18)19/h7-9H,1-6H2,(H,18,19)/t8-,9+,12+,13-
InChIKey SEWAAGVSSSBDQV-JDNZLRHBSA-N
Mol Weight 281.74 g/mol
Molecular Formula C13H16ClN3O2
Exact Mass 281.093104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AxJCwmOuE2E
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid
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/C13H16ClN3O2/c14-11-15-7-17(16-11)13-4-8-1-9(5-13)3-12(2-8,6-13)10(18)19/h7-9H,1-6H2,(H,18,19)/t8-,9+,12+,13-
InChIKey SEWAAGVSSSBDQV-JDNZLRHBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1608
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/9099352; Labnumber: acidOL-0107; UZI_ID: UZI-001610
Temperature 318 °C