38464-20-9

4-CHLORO-3-NITROCOUMARIN(38464-20-9) MS

Product Name4-CHLORO-3-NITROCOUMARIN

CAS 38464-20-9

Molecular FormulaC9H4ClNO4

Molecular Weight225.59

InChIInChI=1S/C9H4ClNO4/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)11(13)14/h1-4H

InChIKey OFLRQEKOAGDHKT-UHFFFAOYSA-N

SmilesC1(=O)OC2=CC=CC=C2C(Cl)=C1[N+]([O-])=O

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¹HNMR

4-CHLORO-3-NITROCOUMARIN(38464-20-9) MS
Mass

MS2001-00152WA      
4-chloro-3-nitrocoumarin
C9H4ClNO4           (Mass of molecular ion:    225)

   Source Temperature: 215 °C
   Sample Temperature:  35 °C
   Direct, 70 eV

      18.0       1.0
      26.0       1.6
      27.0       1.0
      30.0      17.1
      37.0       1.8
      38.0       3.5
      39.0       6.8
      46.0      14.3
      49.0       1.9
      50.0       4.5
      51.0       2.7
      53.0       1.0
      61.0       7.9
      62.0      13.8
      63.0       7.4
      64.0       1.0
      73.0       8.1
      74.0       3.8
      75.0       5.5
      76.0       1.8
      77.0       5.2
      84.0       2.0
      85.0       3.9
      86.0       6.5
      87.0      10.7
      88.0      17.1
      89.0       1.9
      90.0       1.5
      96.0       2.1
      97.0       8.5
      98.0       1.9
      99.0       4.0
     111.0       7.5
     113.0       2.4
     116.0       4.1
     123.0     100.0
     124.0       7.8
     125.0      32.0
     126.0       2.5
     135.0       2.4
     137.0       1.0
     139.0       1.0
     144.0       1.0
     151.0       2.0
     167.0      57.3
     168.0       5.0
     169.0      18.6
     170.0       1.6
     179.0       8.1
     180.0       1.3
     181.0       6.4
     183.0       1.3
     225.0      50.0
     226.0       5.1
     227.0      16.6
     228.0       1.7