Product Name ISOBUTYL2-METHYLVALERATE
CAS
MFC10H20O2
MW172.2646
InChIInChI=1S/C10H20O2/c1-5-6-9(4)10(11)12-7-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyVSNXGQJZBDUEOD-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)C(C)CCC
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Assign. Shift(ppm) A *1 3.86 B *1 3.85 C 2.457 D 1.933 E *2 1.652 F *2 1.39 G 1.33 J 1.149 K 0.938 L 0.91 J(A,B)=-10.6HZ J(A,D)=6.7HZ J(B,D)=6.6HZ
ppm Int. Assign. 176.86 227 1 70.31 542 2 39.52 555 3 36.12 522 4 27.89 520 5 20.50 513 6 19.14 1000 7 17.17 459 8 13.99 470 9
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