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3-cyclopentene-1,1,2-tricarbonitrile, 3-amino-4-formyl-2-(2-oxo-2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-
SpectraBase Compound ID C4PQ13ISpbV
InChI InChI=1S/C21H22N4O2/c22-10-20(11-23)7-16(9-26)18(25)21(20,12-24)8-17(27)19-4-13-1-14(5-19)3-15(2-13)6-19/h9,13-15H,1-8,25H2/t13-,14+,15-,19-,21?
InChIKey UREBJGVXXWXYDI-JVYJFSKXSA-N
Mol Weight 362.43 g/mol
Molecular Formula C21H22N4O2
Exact Mass 362.174276 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JkJncejd8XT
Name 3-cyclopentene-1,1,2-tricarbonitrile, 3-amino-4-formyl-2-(2-oxo-2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.174275962 u
Formula C21H22N4O2
InChI InChI=1S/C21H22N4O2/c22-10-20(11-23)7-16(9-26)18(25)21(20,12-24)8-17(27)19-4-13-1-14(5-19)3-15(2-13)6-19/h9,13-15H,1-8,25H2/t13-,14+,15-,19-,21?
InChIKey UREBJGVXXWXYDI-JVYJFSKXSA-N
Molecular Weight 362.433 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11827
Solvent DMSO-d6
Source Vendor ID: NMR/10270056; Lab Info: Cheb; Lab Number: Cheb-AD00001
Temperature 29.85 °C