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3-(3,4-Dimethoxyphenyl)-8-isopropyl-5-methyl-2H-chromen-2-one
SpectraBase Compound ID KvOyOza1n2C
InChI InChI=1S/C21H22O4/c1-12(2)15-8-6-13(3)16-11-17(21(22)25-20(15)16)14-7-9-18(23-4)19(10-14)24-5/h6-12H,1-5H3
InChIKey ZJLGWBQVVKTTSK-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZsEmfAGpXC
Name 3-(3,4-Dimethoxyphenyl)-8-isopropyl-5-methyl-2H-chromen-2-one
Appearance Light brown needles
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-12(2)15-8-6-13(3)16-11-17(21(22)25-20(15)16)14-7-9-18(23-4)19(10-14)24-5/h6-12H,1-5H3
InChIKey ZJLGWBQVVKTTSK-UHFFFAOYSA-N
Instrument Name Micromass VG Quattro triple quadropole
Ionization Type EI
Literature Reference DOI 10.1002/anie.201805203
Molecular Weight 338.403 g/mol
Quality 25
Reported Formula C21H22O4
SMILES COC1=C(C=C(C=C1)C=1C(OC2=C(C1)C(=CC=C2C(C)C)C)=O)OC
SPLASH splash10-000i-0019000000-ecd2f2829f0269fa1c96
Source of Spectrum ACI-57-SM7-1g (DOI: 10.1002/anie.201805203)
Wiley ID 1893101