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Pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4,8-dihydro-6-(hydroxymethyl)-8-oxo-4-[4-[(trifluoromethyl)thio]phenyl]-
SpectraBase Compound ID DQtRIUEZx3g
InChI InChI=1S/C17H11F3N2O4S/c18-17(19,20)27-10-3-1-8(2-4-10)13-11(6-21)16(22)26-14-12(24)5-9(7-23)25-15(13)14/h1-5,13,23H,7,22H2
InChIKey RXRKWTUAXHCMPA-UHFFFAOYSA-N
Mol Weight 396.34 g/mol
Molecular Formula C17H11F3N2O4S
Exact Mass 396.039163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I895iLrSg3a
Name Pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4,8-dihydro-6-(hydroxymethyl)-8-oxo-4-[4-[(trifluoromethyl)thio]phenyl]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3N2O4S
InChI InChI=1S/C17H11F3N2O4S/c18-17(19,20)27-10-3-1-8(2-4-10)13-11(6-21)16(22)26-14-12(24)5-9(7-23)25-15(13)14/h1-5,13,23H,7,22H2
InChIKey RXRKWTUAXHCMPA-UHFFFAOYSA-N
Molecular Weight 396.340 g/mol
SMILES NC1=C(C(C2=C(C(C=C(CO)O2)=O)O1)c1ccc(cc1)SC(F)(F)F)C#N
SPLASH splash10-014i-9552000000-8b9db75e02245b1bc292
Source of Spectrum IY-1-4499-9
Synonyms 2-Amino-6-(hydroxymethyl)-8-oxo-4-[4-(trifluoromethylthio)phenyl]-4H-pyrano[3,2-b]pyran-3-carbonitrile 2-Amino-6-(hydroxymethyl)-8-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-pyrano[3,2-b]pyran-3-carbonitrile 2-Azanyl-6-(hydroxymethyl)-8-oxidanylidene-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-pyrano[3,2-b]pyran-3-carbonitrile
Wiley ID 1652982