Spectrum KO002777 for Diethyl-2-phenylacetamide

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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/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
UXDAWVUDZLBBAM-UHFFFAOYSA-N
C12H17NO
191.131014164
O=C(N(CC)CC)CC=1C=CC=CC1

Mass Spectral Metadata

NameValue
KO002777
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 D122
191.13101
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.0463034555914759
0.2836372043615062
192
[M+H]+
723.8758541666298 ppm
-0.13898416399999292 Da