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Back ChemicalBook Home>CAS DataBase List>302-17-0More Spectrum> Chloral hydrate(302-17-0) IR2

302-17-0

Chloral hydrate(302-17-0) IR2

Product NameChloral hydrate

CAS302-17-0

Molecular FormulaC2H3Cl3O2

Molecular Weight165.4

InChIInChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey RNFNDJAIBTYOQL-UHFFFAOYSA-N

SmilesC(O)(O)C(Cl)(Cl)Cl

  • Chloral hydrate(302-17-0) IR2
    Mass

    MS-NW-1835          
    2,2,2-trichloro-1,1-ethanediol
    C2H3Cl3O2           (Mass of molecular ion:    164)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          12.0       3.5
          13.0       4.7
          16.0       1.0
          17.0       8.5
          18.0      35.5
          24.0       1.4
          25.0       4.1
          28.0       5.3
          29.0      73.1
          35.0      17.9
          36.0       4.0
          37.0       5.9
          38.0       1.3
          40.0       2.2
          47.0      67.2
          48.0      22.3
          49.0      22.3
          50.0       7.0
          59.0       1.4
          60.0       4.5
          62.0       1.4
          82.0     100.0
          83.0      51.7
          84.0      63.4
          85.0      32.7
          86.0      10.7
          87.0       5.1
         110.0       7.8
         111.0      53.7
         112.0       6.2
         113.0      34.0
         114.0       1.6
         115.0       5.4
         117.0       9.0
         118.0       7.4
         119.0       8.6
         120.0       7.2
         121.0       2.8
         122.0       2.3
         146.0       3.1
         148.0       3.0
    

parameter in CDCl3

  • Chloral hydrate(302-17-0) IR2

    1H NMR 300 MHz
    C2 H3 Cl3 O2 0.040 g : 0.5 ml CDCl3
    2,2,2-trichloro-1,1-ethanediol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.051

         Hz     ppm     Int.
    

       2715.30   9.051   1000
    

KBr disc

  • Chloral hydrate(302-17-0) IR2

nujol mull

  • Chloral hydrate(302-17-0) IR2

4880 A,200 M,powder

  • Chloral hydrate(302-17-0) IR2

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