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Cyclopropanecarbonyl Chloride(4023-34-1) IR1
Product NameCyclopropanecarbonyl Chloride
CAS4023-34-1
Molecular FormulaC4H5ClO
Molecular Weight104.53
InChIInChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2
InChIKey ZOOSILUVXHVRJE-UHFFFAOYSA-N
SmilesC(Cl)(C1CC1)=O
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Parameter ppm Hz
D(A) 2.111 D(B) 1.183 D(C) 1.283 J(A,B) 7.88 J(A,B') 7.88 J(A,C) 4.43 J(A,C') 4.43 J(B,B') 9.19 J(B,C) -4.46 J(B,C') 7.59 J(B',C) 7.59 J(B',C') -4.46 J(C,C') 9.99 CRECELY,K.M. ET AL. J.MOL.SPECTROSC. 30, 184 (1969) J(C-13,A):175.48HZ, J(C-13,B) & J(C-13,B'):166.99HZ, J(C-13,C) & J(C-13,C'):166.32HZ. ASSUMED J(CIS) > J(TRANS).Spectral Code: 1H NMR : parameter neat
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Spectral Code: IR : liquid film
