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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3MZGRoSvfI
Name 3-Amino-4-formyl-5-methyl-2-(2-oxo-2-phenylethyl)-3-cyclopentene-1,1,2-tricarbonitrile
Alternate Name(s) 3-Amino-4-formyl-5-methyl-2-phenacyl-cyclopent-3-ene-1,1,2-tricarbonitrile 3-Azanyl-4-methanoyl-5-methyl-2-phenacyl-cyclopent-3-ene-1,1,2-tricarbonitrile Cyclopent-3-ene-1,1,2-tricarbinitrile, 3-amino-4-formyl-5-methyl-2-(2-oxo-2-phenylethyl)-
CAS Registry Number 97841-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES NC=1C(C(C(C)C1C=O)(C#N)C#N)(CC(=O)c1ccccc1)C#N
SPLASH splash10-05fr-5911000000-52fc63d36975ebabdad5
Wiley ID 1456570