Spectrum VF-NPL-QEHF001304 for 6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-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/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-8H,2,4,9H2,1H3
C15H14O5
274.084123548
O=C1OC(=CC(OC)=C1)CCC2=CC=C3OCOC3=C2
BYHVZDRLSCCTND-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_304_p13_F07_POS_QEHF_72.raw
21
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.536099741353133
0.8129604627498919
297.0733337402344
[M+Na]+
1.8844093428978854 ppm
-5.598077656259193E-4 Da