Spectrum WA000269 for Mecoprop

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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
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
WNTGYJSOUMFZEP-UHFFFAOYSA-N
C10H11ClO3
214.039671892
O=C(O)C(OC1=CC=C(Cl)C=C1C)C

Mass Spectral Metadata

NameValue
WA000269
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
214.03967
QuattroPremier XE, Waters
LC-ESI-QQ
MS2
5 V
ignore rel.int. < 5
negative
0.2685289527444882
0.3874053884595799
212.9
[M-H]-
621.8689149835849 ppm
-0.13239589200000523 Da