Back ChemicalBook Home>CAS DataBase List>3479-89-8More Spectrum> 1,3,5-Cycloheptatriene, 3,7,7-trimethyl-(3479-89-8) 1H NMR
1,3,5-Cycloheptatriene, 3,7,7-trimethyl-(3479-89-8) 1H NMR
Product Name1,3,5-Cycloheptatriene, 3,7,7-trimethyl-
CAS3479-89-8
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3
InChIKey VOURXYUVXXLJMD-UHFFFAOYSA-N
SmilesC1C(C)(C)C=CC=C(C)C=1
-
Parameter ppm Hz
D(A) 6.182 D(B) 5.882 D(C) 5.812 D(D) 5.066 D(E) 5.010 D(F) 1.978 J(A,B) 6.48 J(A,C) 1.31 J(A,D) 0.65 J(A,E) 0.64 J(A,F) -1.27 J(B,C) 0.46 J(B,D) 10.34 J(B,E) -0.59 J(B,F) 0.0 J(C,D) -0.47 J(C,E) 10.17 J(C,F) 0.0 J(D,E) 1.42 J(D,F) 0.0 J(E,F) 0.0 D(G) 0.966 GUENTHER,H. ET AL. ORG.MAGN.RESON. 6, 388 (1974)Spectral Code: 1H NMR : parameter in CCl4