Product Name 4-Heptanone
CAS123-19-3
MFC7H14O
MW114.19
InChIInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChIKeyHCFAJYNVAYBARA-UHFFFAOYSA-N
SmilesCCCC(=O)CCC
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Parameter ppm Hz D(A) 2.36 D(B) 1.59 D(C) 0.916 J(A,B) 7.3 J(A,C) 0.0 J(B,C) 7.3
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4-Heptanone(123-19-3)IR1 Atlas of Related Products
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