Spectrum CCMSLIB00001058989 for Pesticide4_Benzoximate_C18H18ClNO5_Methanone, (benzoyloxy)(3-chloro-2,6-dimethoxyphenyl)-, O-ethyloxime, (Z)-

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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
29104-30-1
n/a
InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3/b20-17-
C18H18ClNO5
363.087350356
O=C(OC(=NOCC)C=1C(OC)=CC=C(Cl)C1OC)C=2C=CC=CC2
BZMIHNKNQJJVRO-JZJYNLBNSA-N

Mass Spectral Metadata

NameValue
Maxis HD qTOF
363.087
1
positive
Pesticide_mix4_BA4_01_8694.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
3.7067339486795174
0.6794712667315588
386.076
[M+Na]+
2.9019053243435637 ppm
-0.0011203560000012658 Da