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

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

Adamantane-1-carboxylic acid, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID EPdKu9emf8L
InChI InChI=1S/C13H16BrN3O2/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 ODVKAFUIFXUNTK-JDNZLRHBSA-N
Mol Weight 326.19 g/mol
Molecular Formula C13H16BrN3O2
Exact Mass 325.04259 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1J2Bmv32ZiP
Name 3-(3-bromo-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/C13H16BrN3O2/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 ODVKAFUIFXUNTK-JDNZLRHBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1375
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: 9311295; UBI_ID: UBI-001376
Temperature 308 °C