Spectrum CCMSLIB00001058572 for Pesticide6_Etaconazole Isomer 1*_C14H15Cl2N3O2_1-{[2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

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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
60207-93-4
n/a
InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
C14H15Cl2N3O2
327.05413208
ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CC)CN3N=CN=C3
DWRKFAJEBUWTQM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 14k
327.054
1
positive
Pesticide_Mix6_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.3157140074504312
0.4256538133343821
328.061
[M+H]+
3.3593752381711455 ppm
-0.0011020800000096642 Da