Spectrum CCMSLIB00000418014 for 1,3-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene

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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/C16H20N2O2/c1-15(2)9-19-13(17-15)11-6-5-7-12(8-11)14-18-16(3,4)10-20-14/h5-8H,9-10H2,1-4H3
C16H20N2O2
272.15247788
N1=C(OCC1(C)C)C=2C=CC=C(C2)C3=NC(C)(C)CO3
MUBZACKCHQIRSY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Lysate
qTof
272.16
1
f.danieldemarque/JH77_POS.mgf;
MS2
GNPS-LIBRARY
danieldemarque, Giuliano Clososki, Daniel Demarque
positive
2.8237649452118667
0.7218170601997326
273.16
[M+H]+
1.6396251280107867 ppm
-4.4787999996742656E-4 Da