Spectrum KO002806 for 2,4-Dimethylaniline

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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/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
CZZZABOKJQXEBO-UHFFFAOYSA-N
C8H11N
121.08914935199999
NC1=CC=C(C=C1C)C

Mass Spectral Metadata

NameValue
KO002806
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID D180
121.08915
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
positive
0.8101657966465748
0.24866230548790236
122
[M+H]+
796.0602622950236 ppm
-0.09711935199999289 Da