Product Name2α-tert-Butyl-4β-methyl-1,3-dithiolane
CAS50363-51-4
Molecular FormulaC8H16S2
Molecular Weight176.34
InChIInChI=1/C8H16S2/c1-6-5-9-7(10-6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/s3
InChIKey SGGOCCZJPGODEE-QHDQTYHDNA-N
SmilesS1C[C@H](C)S[C@H]1C(C)(C)C |&1:2,5,r|
Parameter ppm Hz
D(A) 3.700 D(B) 3.167 D(C) 2.812 D(D) 1.372 J(A,B) 4.64 J(A,C) 7.12 J(A,D) 6.48 J(B,C) -11.21 J(B,D) 0.0 J(C,D) 0.0 D(E) 4.352 D(F) 1.033 J(E,F) 0.0 KESKINEN,R. ET AL. J.CHEM.SOC.,PERKIN TRANS.2 1973, 1376
2α-tert-Butyl-4β-methyl-1,3-dithiolane(50363-51-4) 1H NMR Atlas of Related Products
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