Spectrum WA000007 for Anilofos

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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/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
NXQDBZGWYSEGFL-UHFFFAOYSA-N
C13H19ClNO3PS2
367.023249778
O=C(N(C1=CC=C(Cl)C=C1)C(C)C)CSP(=S)(OC)OC

Mass Spectral Metadata

NameValue
WA000007
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
367.02325
QuattroPremier XE, Waters
LC-ESI-QQ
MS2
10 V
ignore rel.int. < 5
positive
0.7500556028645171
0.466035748921895
368.07
[M+H]+
105.36099654960732 ppm
0.038780222000013964 Da