Spectrum VF-NPL-QTOF007639 for ethyl 2,3-dioxo-1,4-dihydroquinoline-4-carboxylate

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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
STEQTZOENAMHLZ-UHFFFAOYSA-N
C12H11NO4
233.068807832
O=C(OCC)C1C(=O)C(=O)NC=2C=CC=CC21
InChI=1S/C12H11NO4/c1-2-17-12(16)9-7-5-3-4-6-8(7)13-11(15)10(9)14/h3-6,9H,2H2,1H3,(H,13,15)

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
40 V
MX_UC_370
3.2737 minutes
2.428033374680496
0.7743702292115344
232.0625
[M-H]-
4.172014004786558 ppm
9.681679999857806E-4 Da