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Cyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-2-(4-fluorobenzoylmethyl)-4-formyl-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Cyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-2-(4-fluorobenzoylmethyl)-4-formyl-
SpectraBase Compound ID LRzT0A8Vda
InChI InChI=1S/C17H11FN4O2/c18-13-3-1-11(2-4-13)14(24)6-17(10-21)15(22)12(7-23)5-16(17,8-19)9-20/h1-4,7H,5-6,22H2
InChIKey NTQOKJZPTQBYSC-UHFFFAOYSA-N
Mol Weight 322.3 g/mol
Molecular Formula C17H11FN4O2
Exact Mass 322.086604 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID XX9jvdnzyt
Name 3-cyclopentene-1,1,2-tricarbonitrile, 3-amino-2-[2-(4-fluorophenyl)-2-oxoethyl]-4-formyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.086603771 u
Formula C17H11FN4O2
InChI InChI=1S/C17H11FN4O2/c18-13-3-1-11(2-4-13)14(24)6-17(10-21)15(22)12(7-23)5-16(17,8-19)9-20/h1-4,7H,5-6,22H2
InChIKey NTQOKJZPTQBYSC-UHFFFAOYSA-N
Molecular Weight 322.299 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11685
Solvent DMSO-d6
Source Vendor ID: NMR/10241980; Lab Info: Cheb; Lab Number: Cheb-OV00010