(2,4,6-Cycloheptatriene-1-ylidene)malononitrile(2860-54-0) IR2

Product Name(2,4,6-Cycloheptatriene-1-ylidene)malononitrile

CAS 2860-54-0

Molecular Formula

Molecular Weight

InChIInChI=1S/C10H6N2/c11-7-10(8-12)9-5-3-1-2-4-6-9/h1-6H

InChIKey KAWLLELUFONBGI-UHFFFAOYSA-N

SmilesC(#N)/C(=C1/C=CC=CC=C/1)/C#N

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IR1

IR2

ESR

Mass

MS-IW-6676          
2-(2,4,6-cycloheptatrienylidene)malononitrile
C10H6N2             (Mass of molecular ion:    154)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       2.8
      50.0       3.6
      51.0       2.6
      52.0       1.2
      62.0       1.5
      63.0       2.7
      64.0       1.0
      65.0       1.3
      74.0       1.6
      75.0       3.1
      76.0       4.0
      77.0       4.6
      89.0       1.0
      99.0       1.9
     100.0       5.0
     101.0       5.3
     102.0       1.5
     103.0       4.4
     126.0       3.0
     127.0      46.4
     128.0      15.4
     129.0       1.3
     153.0       5.4
     154.0     100.0
     155.0      11.6

KBr disc

nujol mull

ANION RADICAL, ELECTRORED. IN BUTYRONITRILE

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