Spectrum VF-NPL-LTQ002208 for 8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-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/C20H16O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-12H,1-2H3
C20H16O3
304.109944372
O=C1C=C(OC=2C1=CC=C3OC(C=CC32)(C)C)C=4C=CC=CC4
RBKWJAHRWPDNPM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C2_455_p2_G05_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.7545220497761906
0.6840376963670718
327.13268661499023
M+H
67296.15579167097 ppm
22.01477224299026 Da