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Thunberginol C

View entire compound with spectra: 1 MS (GC)

Thunberginol C
SpectraBase Compound ID 76OxWxorv26
InChI InChI=1S/C15H12O5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(18)14(9)15(19)20-13/h1-5,7,13,16-18H,6H2
InChIKey WMAITHDYVBQITD-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C15H12O5
Exact Mass 272.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47Q8RK1WBkR
Name Thunberginol C
Alternate Name(s) 6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one 6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one 3-(4-hydroxyphenyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12O5
InChI InChI=1S/C15H12O5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(18)14(9)15(19)20-13/h1-5,7,13,16-18H,6H2
InChIKey WMAITHDYVBQITD-UHFFFAOYSA-N
Molecular Weight 272.256 g/mol
SMILES Oc1cc(cc2c1C(OC(c1ccc(cc1)O)C2)=O)O
SPLASH splash10-004i-0090000000-691755f8165a87f47507
Source of Spectrum E1-44-1445-13
Wiley ID 1553478