Spectrum VF-NPL-LTQ005350 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
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)
C12H11NO4
233.068807832
O=C(OCC)C1C(=O)C(=O)NC=2C=CC=CC21
STEQTZOENAMHLZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_UC_370_p05_B08_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
255.9605914845186
M-H
93370.07511159813 ppm
23.899059652518588 Da