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1-methylcyclopenta-1,3-diene(96-39-9) 1H NMR
Product Name1-methylcyclopenta-1,3-diene
CAS96-39-9
Molecular FormulaC6H8
Molecular Weight80.13
InChIInChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKey NFWSQSCIDYBUOU-UHFFFAOYSA-N
SmilesC1(C)CC=CC=1
-
Parameter ppm Hz
D(A) 6.25 D(B) 6.07 D(C) 6.00 D(D) 2.70 D(E) 1.98 J(A,B) 5.4 J(A,C) 1.95 J(A,D) -1.55 J(A,E) 0.4 J(B,C) 1.30 J(B,D) 1.55 J(B,E) -0.4 J(C,D) -1.25 J(C,E) -1.6 J(D,E) -0.2 MSTISLAVSKY,V.I. ET AL. ORG.MAGN.RESON. 8, 368 (1976)Spectral Code: 1H NMR : parameter in CCl4
