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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4gxlTlzTXu
Name Cyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-2-(4-fluorobenzoylmethyl)-4-formyl-
CAS Registry Number 12-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES NC=1C(C(CC1C=O)(C#N)C#N)(CC(c1ccc(cc1)F)=O)C#N
SPLASH splash10-007a-8900000000-4a7aa0a9a96ea92a1c9f
Synonyms 3-Amino-2-[2-(4-fluorophenyl)-2-keto-ethyl]-4-formyl-cyclopent-3-ene-1,1,2-tricarbonitrile 3-Amino-2-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-formyl-cyclopent-3-ene-1,1,2-tricarbonitrile 3-Azanyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-4-methanoyl-cyclopent-3-ene-1,1,2-tricarbonitrile
Wiley ID 1457397