Spectrum CCMSLIB00000847212 for NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one

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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
n/a
n/a
InChI=1S/C19H22O6/c1-22-13-10-15(21)19(18(11-13)25-4)14(20)7-5-12-6-8-16(23-2)17(9-12)24-3/h6,8-11,21H,5,7H2,1-4H3
C19H22O6
346.14163842399995
O=C(C=1C(O)=CC(OC)=CC1OC)CCC2=CC=C(OC)C(OC)=C2
MQEOTHTYNCMSAN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
346.142
1
positive
A3_GA3_01_2786.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.9183393342334665
0.316603454379717
347.149
[M+H]+
1.7526307146197646 ppm
-6.084239999495367E-4 Da