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trans-1-methoxy-1,3-butadiene(10034-09-0) 1H NMR
Product Nametrans-1-methoxy-1,3-butadiene
CAS10034-09-0
Molecular FormulaC5H8O
Molecular Weight84.11642
InChIInChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+
InChIKey KOCUMXQOUWPSLK-SNAWJCMRSA-N
SmilesC(/OC)=C\C=C
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Parameter ppm Hz
D(A) 4.710 D(B) 4.892 D(C) 6.094 D(D) 5.440 D(E) 6.471 D(F) 3.463 J(A,B) 1.83 J(A,C) 10.30 J(A,D) -0.76 J(A,E) 0.55 J(A,F) 0.00 J(B,C) 16.90 J(B,D) -0.74 J(B,E) 0.69 J(B,F) 0.00 J(C,D) 10.49 J(C,E) -0.57 J(C,F) 0.12 J(D,E) 12.48 J(D,F) -0.29 J(E,F) -0.34 DIEZ,E. & RICO,M. J.MOL.SPECTROSC. 37, 131 (1971)Spectral Code: 1H NMR : parameter in TMS