Benzocyclobutene(694-87-1)IR
Product NameBenzocyclobutene
CAS694-87-1
Molecular FormulaC8H8
Molecular Weight104.15
InChIInChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
InChIKey UMIVXZPTRXBADB-UHFFFAOYSA-N
SmilesC12C(CC1)=CC=CC=2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H8 23 mg : 0.5 ml CDCl3 bicyclo(4.2.0)octa-1,3,5-triene 
Assign. Shift(ppm)
A 7.178 B 7.046 C 3.176
Hz ppm Int.2873.41 7.190 126 2870.48 7.183 131 2868.04 7.177 127 2865.11 7.170 161 2823.49 7.065 21 2819.70 7.056 188 2816.53 7.048 110 2814.33 7.042 115 2811.40 7.035 140 1269.41 3.177 1000
in CDCl3
