770-69-4

1-ETHYLADAMANTANE(770-69-4) IR1

Product Name1-ETHYLADAMANTANE

CAS 770-69-4

Molecular FormulaC12H20

Molecular Weight164.29

InChIInChI=1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3

InChIKey LXTHCCWEYOKFSR-UHFFFAOYSA-N

SmilesC12(CC)CC3CC(CC(C3)C1)C2

Request For Quotation

¹HNMR

¹³CNMR

IR1

1-ETHYLADAMANTANE(770-69-4) IR1
Mass

MS-IW-4051          
1-ethyladamantane
C12H20              (Mass of molecular ion:    164)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       1.4
      39.0       1.2
      41.0       4.1
      53.0       1.3
      55.0       3.1
      67.0       6.1
      69.0       1.6
      77.0       2.8
      79.0      16.2
      80.0       1.4
      81.0       4.1
      91.0       3.0
      93.0      13.3
      94.0       1.3
     107.0       7.1
     135.0     100.0
     136.0      11.1
     164.0       3.8

400 MHz in CDCl3

1-ETHYLADAMANTANE(770-69-4) IR1

¹H NMR	399.65 MHz
C₁₂ H₂₀	0.05 ml : 0.5 ml CDCl₃
1-ethyladamantane

    Assign.     Shift(ppm)

      A             1.936
      B     *1      1.695
      C     *1      1.624
      D             1.441
      E             1.079
      F             0.775

     Hz     ppm     Int.

    773.80   1.937    311
    685.42   1.716    149
    673.58   1.686    299
    657.35   1.645    114
    656.13   1.642    201
    653.56   1.636    306
    652.59   1.633    292
    649.54   1.626    176
    648.44   1.623    120
    644.90   1.614     74
    643.92   1.612    101
    641.36   1.605    155
    639.89   1.602    148
    637.21   1.595     91
    577.15   1.445    934
    574.46   1.438    878
    443.60   1.110    107
    435.91   1.091    359
    428.34   1.072    396
    420.90   1.054    158
    316.77   0.793    560
    309.45   0.775   1000
    301.64   0.755    430

in CDCl3