Spectrum VF-NPL-QEHF010432 for (E)-1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]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/C20H20O4/c1-14(2)11-12-24-17-7-3-15(4-8-17)5-10-19(22)18-9-6-16(21)13-20(18)23/h3-11,13,21,23H,12H2,1-2H3/b10-5+
C20H20O4
324.13615912
O=C(C=CC1=CC=C(OCC=C(C)C)C=C1)C2=CC=C(O)C=C2O
VVSZRCIUFBADJQ-BJMVGYQFSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_786_p1_E08_NEG_QEHF_1090.raw
12
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.5230033534239882
0.2965465588440661
323.1288757324219
[M-H]-
0.02286263683504279 ppm
-7.387578136786033E-6 Da