Spectrum VF-NPL-QEHF006539 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
45HCD
MX_C2_455_p02_G05_POS_QEHF_376.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.8812527906583836
0.6369423732108404
322.1437683105469
[M+NH4]+
14.763785368454752 ppm
-0.004756061453122129 Da