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1,5-Di(2,5-dimethoxyphenyl)-1,2-epoxy-4-penten-3-one
SpectraBase Compound ID up4YwTK3Ty
InChI InChI=1S/C21H22O6/c1-23-14-6-9-18(25-3)13(11-14)5-8-17(22)21-20(27-21)16-12-15(24-2)7-10-19(16)26-4/h5-12,20-21H,1-4H3/b8-5+
InChIKey PSKCDKBJAJMBHC-VMPITWQZSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5iTEdgfVGs
Name 1,5-Di(2,5-dimethoxyphenyl)-1,2-epoxy-4-penten-3-one
Alternate Name(s) (2E)-3-(2,5-dimethoxyphenyl)-1-[3-(2,5-dimethoxyphenyl)-2-oxiranyl]-2-propen-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-23-14-6-9-18(25-3)13(11-14)5-8-17(22)21-20(27-21)16-12-15(24-2)7-10-19(16)26-4/h5-12,20-21H,1-4H3/b8-5+
InChIKey PSKCDKBJAJMBHC-VMPITWQZSA-N
Molecular Weight 370.401 g/mol
SMILES C1(C(C(\C=C\c2c(ccc(c2)OC)OC)=O)O1)c1c(ccc(c1)OC)OC
SPLASH splash10-0006-0901000000-a292116ee3ef77b6ce83
Source of Spectrum SO-0-125-5
Wiley ID 1540480