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Neobavaisoflavone
SpectraBase Compound ID Et9PZu8Ak4F
InChI InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
InChIKey OBGPEBYHGIUFBN-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AyV6IPhRTb
Name Neobavaisoflavone
Alternate Name(s) 4',7-Dihydroxy-31-(3-methyl-2-butenyl)isoflavone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
InChIKey OBGPEBYHGIUFBN-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 322.360 g/mol
SMILES Oc1c(cc(C2=COc3c(ccc(c3)O)C2=O)cc1)CC=C(C)C
SPLASH splash10-00xr-2598000000-2bd52ed77d1db7b5f507
Source of Spectrum SRH-2022-1118-0
Wiley ID 1823588