581-64-6

劳氏紫(581-64-6)红外图谱(IR1)

产品名称:劳氏紫

CAS:581-64-6

分子式:C12H10ClN3S

分子量: 263.74

InChI:InChI=1S/C12H10N3S.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6H,13-14H2;1H/q+1;/p-1

InChIKey: ANRHNWWPFJCPAZ-UHFFFAOYSA-M

Smiles:NC1C=CC2=NC3=CC=C(N)C=C3[S+]=C2C=1.[Cl-]

IR1

IR2

Mass

MS-IW-3899          
7-amino-3-imino-3H-phenothiazine hydrochloride
C12H9N3S HCl        (Mass of molecular ion:    227)

   Source Temperature: 170 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.7
      18.0       8.8
      28.0       2.4
      39.0       1.8
      41.0       2.5
      43.0       4.9
      45.0       6.2
      51.0       1.8
      52.0       4.0
      53.0       1.1
      60.0       4.2
      62.0       2.2
      63.0       5.1
      64.0       2.9
      65.0       1.9
      69.0       2.6
      77.0       1.5
      78.0       3.0
      79.0       2.0
      80.0       1.2
      82.0       1.1
      84.0       1.6
      86.5       6.0
      87.0       2.3
      89.0       1.1
      90.0       1.2
      91.0       2.7
      95.0       1.5
      96.0       1.9
      99.5       1.8
     100.0      10.2
     100.5       2.0
     101.0       1.1
     104.0       1.1
     105.0       1.3
     111.0       1.4
     113.5       3.9
     114.0       2.3
     114.5       3.0
     115.0       1.3
     122.0       1.1
     123.0       1.5
     128.0       1.4
     129.0       1.0
     140.0       2.3
     141.0       1.0
     142.0       1.3
     146.0       1.2
     155.0       3.4
     156.0       1.8
     166.0       1.1
     167.0       2.4
     168.0       3.5
     169.0       1.5
     172.0       6.7
     173.0       5.4
     174.0       3.5
     175.0       1.2
     183.0       1.2
     184.0       1.2
     194.0       1.2
     195.0       1.3
     196.0       4.5
     197.0       3.8
     198.0       3.0
     199.0      13.3
     200.0      73.7
     201.0      13.0
     202.0       4.2
     209.0       1.2
     211.0       1.0
     213.0       1.8
     214.0       1.3
     226.0       6.1
     227.0     100.0
     228.0      26.0
     229.0      29.7
     230.0       4.7
     231.0       1.4

KBr disc

nujol mull

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