Spectrum CCMSLIB00005723366 for N-(2-Phenylethyl)acetamide

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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
877-95-2
InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
C10H13NO
163.099714036
OC(=NCCC=1C=CC=CC1)C
MODKMHXGCGKTLE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
MS2
qTof
0.0
1
t.26a548a5e13c475598f60fbc49510d9f/spectra/specs_ms.mgf;
GNPS-LIBRARY
Carballo-C., Rommel-A., Rommelio_coli, Moreno-Ulloa, Aldo
positive
1.1813888842905687
0.5681279615757829
164.107
[M+H]+
4.168231702459725 ppm
-6.840359999955581E-4 Da