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1-(1-adamantyl)-4-nitro-1H-pyrazole-5-carboxylic acid

View entire compound with spectra: 1 NMR

1-(1-adamantyl)-4-nitro-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID 1ZLOOU4vWgv
InChI InChI=1S/C14H17N3O4/c18-13(19)12-11(17(20)21)7-15-16(12)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)/t8-,9+,10-,14-
InChIKey JECJERHMIZEVSJ-SXBOEOOGSA-N
Mol Weight 291.31 g/mol
Molecular Formula C14H17N3O4
Exact Mass 291.121906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IRcdH3Vd3CZ
Name 1-(1-adamantyl)-4-nitro-1H-pyrazole-5-carboxylic 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/C14H17N3O4/c18-13(19)12-11(17(20)21)7-15-16(12)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)/t8-,9+,10-,14-
InChIKey JECJERHMIZEVSJ-SXBOEOOGSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14784
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/1020176; UBI_ID: UBI-014787
Temperature 300 °C