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6-Phenyl-7-(hexynyl)tetrahydrochromen-5,8-dione
SpectraBase Compound ID HC6EhIhg3fn
InChI InChI=1S/C21H20O3/c1-2-3-4-8-12-16-18(15-10-6-5-7-11-15)19(22)17-13-9-14-24-21(17)20(16)23/h5-7,10-11H,2-4,9,13-14H2,1H3
InChIKey ROKJZZRXNGBCTK-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QQX9BEHDfG
Name 6-Phenyl-7-(hexynyl)tetrahydrochromen-5,8-dione
Alternate Name(s) 7-(1-hexynyl)-6-phenyl-5,8-chromanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-2-3-4-8-12-16-18(15-10-6-5-7-11-15)19(22)17-13-9-14-24-21(17)20(16)23/h5-7,10-11H,2-4,9,13-14H2,1H3
InChIKey ROKJZZRXNGBCTK-UHFFFAOYSA-N
Molecular Weight 320.388 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)OCCC2)c1ccccc1)C#CCCCC
SPLASH splash10-0006-9222000000-89eccfb2e208edb7676a
Source of Spectrum F-50-2012-12
Wiley ID 1320528