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_id
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G3g7NqB8cbJ
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G3g7NqB8cbJ
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analyticalTechnique
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)methyl]-, ethyl ester
SpectraBase Compound ID 5snqjZ62drx
InChI InChI=1S/C22H32N8O3/c1-2-32-21(31)18-17(30(27-24-18)20-19(23)25-33-26-20)13-28-3-5-29(6-4-28)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,2-13H2,1H3,(H2,23,25)/t14-,15+,16-,22-
InChIKey GDZRHHODNXDWNL-OFWUGVANSA-N
Mol Weight 456.6 g/mol
Molecular Formula C22H32N8O3
Exact Mass 456.259737 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3g7NqB8cbJ
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)methyl]-, ethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.259736919 u
Formula C22H32N8O3
InChI InChI=1S/C22H32N8O3/c1-2-32-21(31)18-17(30(27-24-18)20-19(23)25-33-26-20)13-28-3-5-29(6-4-28)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,2-13H2,1H3,(H2,23,25)/t14-,15+,16-,22-
InChIKey GDZRHHODNXDWNL-OFWUGVANSA-N
Molecular Weight 456.551 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14384
Solvent DMSO-d6
Source Vendor ID: NMR/10320659; Lab Info: VUR; Lab Number: VUR-01012701
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