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3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid

View entire compound with spectra: 1 NMR

3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid
SpectraBase Compound ID 1WjwxAoIrNi
InChI InChI=1S/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/t9-,10+,12+,13-
InChIKey NTUMBFHGMUZUBG-QZHINBJYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Qjf8cusv7m
Name 3-(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/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/t9-,10+,12+,13-
InChIKey NTUMBFHGMUZUBG-QZHINBJYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34605
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: 9099314; SBI_ID: SBI-034609
Temperature 306 °C