Spectrum CCMSLIB00001058667 for Pesticide7_Spirodiclofen_C21H24Cl2O4_Butanoic acid, 2,2-dimethyl-, 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl ester

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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
148477-71-8
n/a
InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
C21H24Cl2O4
410.105164608
O=C1OC2(C(OC(=O)C(C)(C)CC)=C1C=3C=CC(Cl)=CC3Cl)CCCCC2
DTDSAWVUFPGDMX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Maxis HD qTOF
410.105
1
positive
MS2
Pesticide_mix7_BA7_01_8697.mzXML
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
2.451263697089908
0.6203777523422318
433.094
[M+Na]+
2.157979561071645 ppm
-9.34608000022763E-4 Da