Spectrum CCMSLIB00000309401 for 2-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole

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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/C11H12ClNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3
C11H12ClNO
209.060741684
ClC1=CC=CC(=C1)C2=NC(C)(C)CO2
RHIGOVYZLUVMOO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Other
qTof
209.06
1
f.danieldemarque/JH227_POS.mgf;
MS2
GNPS-LIBRARY
danieldemarque, Giuliano Clososki, Daniel Demarque
positive
1.5705053724523967
0.5158462138406049
210.06
[M+H]+
41.47236027797192 ppm
-0.008711683999990782 Da