Back ChemicalBook Home>CAS DataBase List>14397-61-6More Spectrum> 3,4-dihydro-1(2H)-naphthalenone-2,2-d2(14397-61-6) 1H NMR
3,4-dihydro-1(2H)-naphthalenone-2,2-d2(14397-61-6) 1H NMR
Product Name3,4-dihydro-1(2H)-naphthalenone-2,2-d2
CAS14397-61-6
Molecular FormulaC10H8D2O
Molecular Weight148.198123556
InChIInChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2/i7D2
InChIKey XHLHPRDBBAGVEG-RJSZUWSASA-N
SmilesC1(=O)C2=C(C=CC=C2)CCC1([2H])[2H]
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Parameter ppm Hz
D(A) 1.989 D(B) 2.825 D(C) 7.098 D(D) 7.297 D(E) 7.148 D(F) 7.876 J(A,A') -13.00 J(A,B) 7.98 J(A,B') 4.29 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A',B) 4.29 J(A',B') 7.98 J(A',C) 0.0 J(A',D) 0.0 J(A',E) 0.0 J(A',F) 0.0 J(B,B') -16.21 J(B,C) -0.91 J(B,D) 0.33 J(B,E) -0.61 J(B,F) 0.43 J(B',C) -0.91 J(B',D) 0.33 J(B',E) -0.61 J(B',F) 0.43 J(C,D) 7.67 J(C,E) 1.26 J(C,F) 0.54 J(D,E) 7.24 J(D,F) 1.46 J(E,F) 7.67 GATTO,K. ET AL. ORG.MAGN.RESON. 6, 577 (1974)Spectral Code: 1H NMR : parameter in CCl4