550-99-2

盐酸萘甲唑啉(550-99-2)Raman光谱

产品名称:盐酸萘甲唑啉

CAS:550-99-2

分子式:C14H14N2.ClH

分子量: 246.74

InChI:InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H

InChIKey: DJDFFEBSKJCGHC-UHFFFAOYSA-N

Smiles:C12C=CC=CC1=CC=CC=2CC1=NCCN1.Cl

Mass

MS-IW-2151          
2-(1-naphthylmethyl)-2-imidazoline hydrochloride
C14H14N2 HCl        (Mass of molecular ion:    210)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      36.0       9.3
      38.0       3.0
      42.0       1.1
      63.0       1.6
      76.0       2.3
      76.5       1.3
      77.0       1.5
      81.0       2.5
      89.0       1.2
      90.0       1.7
      90.5       1.3
      91.0       1.2
     104.0       1.8
     104.5       1.7
     105.0       3.1
     115.0       8.9
     127.0       1.6
     128.0       1.2
     139.0       4.9
     140.0       2.4
     141.0      19.7
     142.0       2.5
     151.0       1.4
     152.0       6.1
     153.0       8.3
     154.0       2.2
     165.0       1.3
     166.0       4.4
     167.0       3.1
     168.0       1.4
     180.0       4.5
     181.0       6.9
     182.0       1.8
     195.0       6.8
     196.0       1.0
     206.0       1.1
     207.0       2.6
     208.0      11.9
     209.0     100.0
     210.0      46.5
     211.0       6.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₄ N₂	saturated in DMSO-d₆
2-(1-naphthylmethyl)-2-imidazoline hydrochloride

    Assign.     Shift(ppm)

      A            10.44
      B             8.127
      C             8.003
      D             7.952
      E             7.63
      F     *1      7.62
      G     *1      7.60
      J             7.537
      K             4.428
      L             3.823
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   4173.27  10.443     58
   3252.49   8.139     85
   3244.43   8.119     92
   3203.40   8.016     85
   3195.89   7.997    106
   3194.06   7.993     94
   3182.15   7.963    103
   3174.09   7.943    113
   3054.30   7.643    126
   3047.34   7.626    205
   3041.48   7.611    171
   3039.65   7.606    152
   3033.79   7.592     87
   3032.50   7.588     94
   3026.83   7.574     39
   3025.54   7.571     33
   3018.95   7.554    115
   3011.62   7.536    107
   3010.71   7.534    125
   3003.56   7.516     77
   1769.94   4.429    402
   1527.97   3.824   1000

in DMSO-d6