DL-M- (DL-M-HYDROXYMANDELIC ACID)(53623-77-1) IR2

Product NameDL-M- (DL-M-HYDROXYMANDELIC ACID)

CAS 53623-77-1

Molecular FormulaC15H14N2O3

Molecular Weight270.28326

InChIInChI=1S/C15H14N2O3/c1-10-7-8-11(2)13(9-10)16-15(18)12-5-3-4-6-14(12)17(19)20/h3-9H,1-2H3,(H,16,18)

InChIKey IGUIIBFKJFKXRE-UHFFFAOYSA-N

SmilesC(NC1=CC(C)=CC=C1C)(=O)C1=CC=CC=C1[N+]([O-])=O

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IR1

IR2

Mass

MS-NW-6964          
DL-hydroxy(m-hydroxyphenyl)acetic acid
C8H8O4              (Mass of molecular ion:    168)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.5
      27.0       2.9
      28.0       1.5
      29.0       5.6
      37.0       1.4
      38.0       4.1
      39.0      17.5
      40.0       3.5
      41.0       7.2
      43.0       1.0
      44.0       1.3
      45.0       3.2
      50.0       3.8
      51.0       8.8
      52.0       1.9
      53.0       3.4
      55.0       4.3
      61.0       1.4
      61.5       1.0
      62.0       2.4
      63.0       5.3
      64.0       2.2
      65.0      17.0
      66.0       7.4
      67.0       6.2
      74.0       1.5
      75.0       1.2
      77.0      58.4
      78.0       7.1
      79.0       1.0
      93.0       7.2
      94.0       6.8
      95.0     100.0
      96.0       7.0
     105.0       3.1
     106.0       2.7
     107.0       1.1
     121.0       9.7
     122.0       5.5
     123.0      99.7
     124.0       9.4
     168.0      49.7
     169.0       4.8

KBr disc

nujol mull

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