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Pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4,8-dihydro-6-(hydroxymethyl)-8-oxo-4-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 9fAMyQuRXm
InChI InChI=1S/C17H11F3N2O4/c18-17(19,20)11-4-2-1-3-9(11)13-10(6-21)16(22)26-14-12(24)5-8(7-23)25-15(13)14/h1-5,13,23H,7,22H2
InChIKey PCNCVJTXAMLVAY-UHFFFAOYSA-N
Mol Weight 364.28 g/mol
Molecular Formula C17H11F3N2O4
Exact Mass 364.067091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AS97VGTpsac
Name Pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4,8-dihydro-6-(hydroxymethyl)-8-oxo-4-[2-(trifluoromethyl)phenyl]-
Alternate Name(s) 2-Amino-6-(hydroxymethyl)-8-oxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-b]pyran-3-carbonitrile 2-Azanyl-6-(hydroxymethyl)-8-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-b]pyran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3N2O4
InChI InChI=1S/C17H11F3N2O4/c18-17(19,20)11-4-2-1-3-9(11)13-10(6-21)16(22)26-14-12(24)5-8(7-23)25-15(13)14/h1-5,13,23H,7,22H2
InChIKey PCNCVJTXAMLVAY-UHFFFAOYSA-N
Molecular Weight 364.280 g/mol
SMILES OCC1=CC(C2=C(C(C(=C(O2)N)C#N)c2ccccc2C(F)(F)F)O1)=O
SPLASH splash10-014i-3593000000-1ecc82816320f08ac797
Source of Spectrum IY-1-4497-3
Wiley ID 1652956