Spectrum VF-NPL-QEHF005346 for (E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C20H22O6/c1-22-14-11-18(25-4)20(19(12-14)26-5)15(21)8-6-13-7-9-16(23-2)17(10-13)24-3/h6-12H,1-5H3/b8-6+
C20H22O6
358.141638424
O=C(C=CC1=CC=C(OC)C(OC)=C1)C=2C(OC)=CC(OC)=CC2OC
TVKGYMYAOVADOP-SOFGYWHQSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_315_p19_C10_POS_QEHF_1458.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.0273036984341615
0.5641664610425646
359.1488952636719
[M+H]+
1.9856954526025135 ppm
-7.131603281322896E-4 Da