87248-50-8

(+)-NOE'S REAGENT(87248-50-8) MS

Molecular FormulaC24H38O3

Molecular Weight374.56

InChIInChI=1S/C24H38O3/c1-21(2)15-7-9-23(21,5)19-13(15)11-17(26-19)25-18-12-14-16-8-10-24(6,20(14)27-18)22(16,3)4/h13-20H,7-12H2,1-6H3/t13-,14-,15+,16+,17-,18-,19-,20-,23-,24-/m0/s1

InChIKey VUDXCBLBKXFCNA-VFQSMPPFSA-N

SmilesO([C@@H]1C[C@@]2([H])[C@]3([H])C(C)(C)[C@](C)([C@@]2([H])O1)CC3)[C@@H]1C[C@@]2([H])[C@]3([H])C(C)(C)[C@](C)([C@@]2([H])O1)CC3

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(+)-NOE'S REAGENT(87248-50-8) MS
Mass

MS-NW-8028          
(+)-noe-lactol dimer
C24H38O3            (Mass of molecular ion:    374)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       2.5
      29.0       3.1
      39.0       3.6
      41.0      14.2
      43.0       6.6
      53.0       3.1
      55.0       8.0
      57.0       4.8
      65.0       1.5
      67.0       6.2
      68.0       1.2
      69.0      10.1
      71.0       2.3
      77.0       3.1
      79.0       4.9
      80.0       1.1
      81.0       9.1
      82.0       1.9
      83.0       2.9
      86.0       1.2
      91.0       4.2
      93.0      12.3
      94.0       2.2
      95.0      40.3
      96.0      11.5
      97.0       1.4
     105.0       3.7
     107.0       6.1
     108.0      10.5
     109.0      16.6
     110.0       3.4
     119.0       5.2
     121.0       4.2
     122.0       1.6
     123.0       4.2
     134.0       3.6
     135.0      30.3
     136.0       3.8
     137.0       2.4
     145.0       1.3
     149.0       1.0
     151.0       1.2
     152.0       1.1
     161.0      11.8
     162.0       1.6
     163.0       2.4
     165.0       2.3
     166.0       1.0
     178.0      14.5
     179.0     100.0
     180.0      13.5
     181.0       1.2
     195.0       1.0
     196.0       1.0

KBr disc

nujol mull

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