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

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

Adamantane-1-carboxylic acid, 3-(3-nitro-1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID LQ6DwKkAViL
InChI InChI=1S/C13H16N4O4/c18-10(19)12-2-8-1-9(3-12)5-13(4-8,6-12)16-7-14-11(15-16)17(20)21/h7-9H,1-6H2,(H,18,19)/t8-,9+,12+,13-
InChIKey CIKGWLMBQJIERA-JDNZLRHBSA-N
Mol Weight 292.3 g/mol
Molecular Formula C13H16N4O4
Exact Mass 292.117155 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JVB7Vb2kwuH
Name 3-(3-nitro-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/C13H16N4O4/c18-10(19)12-2-8-1-9(3-12)5-13(4-8,6-12)16-7-14-11(15-16)17(20)21/h7-9H,1-6H2,(H,18,19)/t8-,9+,12+,13-
InChIKey CIKGWLMBQJIERA-JDNZLRHBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1376
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: 9310956; UBI_ID: UBI-001377
Temperature 308 °C