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XYQGRDVFZGPOQG-UHFFFAOYSA-N
SpectraBase Compound ID 4GrHDnJq7Gb
InChI InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-6,9-11,21H,7-8H2,1-2H3
InChIKey XYQGRDVFZGPOQG-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 Lvu8dS0rAMr
Name Isoneobavaisoflavone
Alternate Name(s) 2',3'-Dihydro-7-hydroxy-2',2'-dimethyl-3,6'-bi(4h-1-benzopyran)-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-6,9-11,21H,7-8H2,1-2H3
InChIKey XYQGRDVFZGPOQG-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 322.360 g/mol
SMILES Oc1ccc2c(c1)OC=C(C2=O)c1ccc2c(c1)CCC(O2)(C)C
SPLASH splash10-00xr-0279000000-372dbfe20a90bed18c48
Source of Spectrum SRH-2022-1121-0
Wiley ID 1823591