Spectrum VF-NPL-QEHF005339 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
358.14163842399995
O=C(C=CC1=CC=C(OC)C(OC)=C1)C=2C(OC)=CC(OC)=CC2OC
TVKGYMYAOVADOP-SOFGYWHQSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_315_p19_C10_POS_QEHF_1454.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.634433881318732
0.7840624809840703
397.1047973632812
[M+K]+
340.31586023656473 ppm
-0.13514106071875176 Da