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Desmethoxyyangonin
SpectraBase Compound ID J8OO3GySyNW
InChI InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey DKKJNZYHGRUXBS-BQYQJAHWSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2npBU9TuTyK
Name 5,6-Dehydrokavain
CAS Registry Number 15345-89-8
Classification Kavalactone
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 228.078644243 u
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey DKKJNZYHGRUXBS-BQYQJAHWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 228.247 g/mol
Nominal Mass 228 u
Quality 968
Retention Index 2298
SMILES C1(=CC(=CC(O1)=O)OC)\C=C\C=1C=CC=CC1
SPLASH splash10-004i-5960000000-13de675e040e4d46abc6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Desmethoxy-yangonin 4-Methoxy-6-styryl-2H-pyran-2-one
Technique GC/MS
Wiley ID DD2024_019272