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3-Amino-4-formyl-5-methyl-2-(2-oxo-2-phenylethyl)-3-cyclopentene-1,1,2-tricarbonitrile
SpectraBase Compound ID 7xgC0LLDAgb
InChI InChI=1S/C18H14N4O2/c1-12-14(8-23)16(22)17(9-19,18(12,10-20)11-21)7-15(24)13-5-3-2-4-6-13/h2-6,8,12H,7,22H2,1H3
InChIKey FXFUNOQJMBGJLS-UHFFFAOYSA-N
Mol Weight 318.34 g/mol
Molecular Formula C18H14N4O2
Exact Mass 318.111676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2S81bfutIS3
Name 3-cyclopentene-1,1,2-tricarbonitrile, 3-amino-4-formyl-5-methyl-2-(2-oxo-2-phenylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.111675705 u
Formula C18H14N4O2
InChI InChI=1S/C18H14N4O2/c1-12-14(8-23)16(22)17(9-19,18(12,10-20)11-21)7-15(24)13-5-3-2-4-6-13/h2-6,8,12H,7,22H2,1H3
InChIKey FXFUNOQJMBGJLS-UHFFFAOYSA-N
Molecular Weight 318.336 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8635
Solvent DMSO-d6
Source Vendor ID: NMR/10210370; Lab Info: Cheb; Lab Number: Cheb-V000016
Temperature 23.85 °C