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4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile, 2-amino-4-[4-(methylthio)phenyl]-5-oxo-
SpectraBase Compound ID fqEEwHhdj
InChI InChI=1S/C20H14N2O3S/c1-26-12-8-6-11(7-9-12)16-14(10-21)19(22)25-18-13-4-2-3-5-15(13)24-20(23)17(16)18/h2-9,16H,22H2,1H3
InChIKey UDCMGZACIRXGNN-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C20H14N2O3S
Exact Mass 362.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg4aw6H6ncJ
Name 2-Amino-4-(4-(methylthio)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 C20H14N2O3S
InChI InChI=1S/C20H14N2O3S/c1-26-12-8-6-11(7-9-12)16-14(10-21)19(22)25-18-13-4-2-3-5-15(13)24-20(23)17(16)18/h2-9,16H,22H2,1H3
InChIKey UDCMGZACIRXGNN-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202200064
Molecular Weight 362.403 g/mol
SMILES NC=1OC=2c3ccccc3OC(C2C(C1C#N)c1ccc(cc1)SC)=O
SPLASH splash10-029j-0198000000-8b0910b27a52aeea652d
Source of Spectrum CMC-17-8-1i
Wiley ID 1873285