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2-Amino-4-(3-(pentafluorothio)phenyl)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3-carbonitrile
SpectraBase Compound ID H2kC2EqDeLh
InChI InChI=1S/C19H11F5N2O3S/c20-30(21,22,23,24)11-5-3-4-10(8-11)15-13(9-25)18(26)29-17-12-6-1-2-7-14(12)28-19(27)16(15)17/h1-8,15H,26H2
InChIKey FATFEDIRJHRTJP-UHFFFAOYSA-N
Mol Weight 442.36 g/mol
Molecular Formula C19H11F5N2O3S
Exact Mass 442.041054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCzZlZB472b
Name 2-Amino-4-(3-(pentafluorothio)phenyl)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3-carbonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11F5N2O3S
InChI InChI=1S/C19H11F5N2O3S/c20-30(21,22,23,24)11-5-3-4-10(8-11)15-13(9-25)18(26)29-17-12-6-1-2-7-14(12)28-19(27)16(15)17/h1-8,15H,26H2
InChIKey FATFEDIRJHRTJP-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202200064
Molecular Weight 442.360 g/mol
SMILES NC1=C(C(C=2C(Oc3ccccc3C2O1)=O)c1cc(S(F)(F)(F)(F)F)ccc1)C#N
SPLASH splash10-000i-0190100000-4fb888b888dd26525710
Source of Spectrum CMC-17-8-1j
Wiley ID 1873286