935-14-8

1,4-Diethynylbenzene (935-14-8) IR2

Product Name1,4-Diethynylbenzene

CAS 935-14-8

Molecular FormulaC10H6

Molecular Weight126.15

InChIInChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H

InChIKey MVLGANVFCMOJHR-UHFFFAOYSA-N

SmilesC1(C#C)=CC=C(C#C)C=C1

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1,4-Diethynylbenzene (935-14-8) IR2
Mass

MS-IW-6580          
p-diethynylbenzene
C10H6               (Mass of molecular ion:    126)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.0
      50.0       8.2
      51.0       2.1
      52.0       1.2
      61.0       2.3
      62.0       3.4
      63.0       8.9
      74.0      10.8
      75.0       5.5
      76.0      12.1
      86.0       2.1
      87.0       4.1
      98.0       4.9
      99.0       2.9
     100.0       5.2
     125.0       3.0
     126.0     100.0
     127.0      11.1

parameter in CDCl3

1,4-Diethynylbenzene (935-14-8) IR2

¹H NMR	300 MHz
C₁₀ H₆	0.032 g : 0.5 ml CDCl₃
p-diethynylbenzene

    Parameter     ppm  Hz

      D(A)         7.438
     
      D(B)         3.169

     Hz     ppm     Int.

   2231.38   7.438   1000
    950.68   3.169    500

in CDCl3

KBr disc

nujol mull

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