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2-Amino-4-(4-ethynylphenyl)-5-oxo-4,5-dihydropyrano[3,2-c]-chromene-3-carbonitrile
SpectraBase Compound ID 3rHKrYRXL17
InChI InChI=1S/C21H12N2O3/c1-2-12-7-9-13(10-8-12)17-15(11-22)20(23)26-19-14-5-3-4-6-16(14)25-21(24)18(17)19/h1,3-10,17H,23H2
InChIKey ZWBXTRZXHTYRCY-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C21H12N2O3
Exact Mass 340.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH59Mm6FIXB
Name 2-Amino-4-(4-ethynylphenyl)-5-oxo-4,5-dihydropyrano[3,2-c]-chromene-3-carbonitrile
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12N2O3
InChI InChI=1S/C21H12N2O3/c1-2-12-7-9-13(10-8-12)17-15(11-22)20(23)26-19-14-5-3-4-6-16(14)25-21(24)18(17)19/h1,3-10,17H,23H2
InChIKey ZWBXTRZXHTYRCY-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202200064
Molecular Weight 340.338 g/mol
SMILES NC1=C(C(C=2C(Oc3ccccc3C2O1)=O)c1ccc(C#C)cc1)C#N
SPLASH splash10-007c-0293000000-9f117b48158d7abbc91a
Source of Spectrum CMC-17-9-1m
Wiley ID 1873289