2β,4α-Dimethyl-1,3-oxathiolan-5-one(60822-63-1) ¹H NMR

Product Name2β,4α-Dimethyl-1,3-oxathiolan-5-one

CAS 60822-63-1

Molecular FormulaC5H8O2S

Molecular Weight132.18

InChIInChI=1/C5H8O2S/c1-3-5(6)7-4(2)8-3/h3-4H,1-2H3/t3-,4+/s3

InChIKey NFCVBGQKCXAEPW-QZMQZWAZNA-N

SmilesO1C(=O)[C@H](C)S[C@@H]1C |&1:3,6,r|

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¹HNMR

    Parameter     ppm  Hz

      D(A)         5.47
      D(B)         3.97
      D(C)         1.76
      D(D)         1.53
       J(A,B)          0.4
       J(A,C)          6.0
       J(A,D)          0.0
       J(B,C)          0.0
       J(B,D)          7.1
       J(C,D)          0.0
     
     PIHLAJA,K. ET AL. ACTA CHEM.SCAND. A 30, 457 (1976)

Spectral Code: 1H NMR : parameter in CCl4

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2β,4α-Dimethyl-1,3-oxathiolan-5-one(60822-63-1) 1H NMR

2β,4α-Dimethyl-1,3-oxathiolan-5-one(60822-63-1) ¹H NMR