31554-15-1

2,3-BIS(HYDROXYMETHYL)NAPHTHALENE(31554-15-1) MS

Product Name2,3-BIS(HYDROXYMETHYL)NAPHTHALENE

CAS 31554-15-1

Molecular FormulaC12H12O2

Molecular Weight188.22

InChIInChI=1S/C12H12O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2

InChIKey DTYJRRQQOLBRGH-UHFFFAOYSA-N

SmilesC1=C2C(C=CC=C2)=CC(CO)=C1CO

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2,3-BIS(HYDROXYMETHYL)NAPHTHALENE(31554-15-1) MS
Mass

MS-IW-4938          
2,3-naphthalenedimethanol
C12H12O2            (Mass of molecular ion:    188)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.2
      31.0       1.1
      39.0       2.2
      50.0       1.5
      51.0       3.7
      57.5       4.7
      62.0       1.6
      63.0       5.5
      64.0       1.3
      65.0       1.4
      69.0       2.3
      69.5       3.9
      70.0       4.3
      70.5       5.7
      71.0       2.7
      72.0       1.3
      74.0       1.9
      75.0       3.0
      76.0       2.9
      77.0       4.1
      84.0       3.1
      84.5       4.9
      85.0       7.3
      86.0       1.0
      87.0       1.7
      89.0       3.1
      91.0       1.8
     101.0       1.5
     102.0       2.2
     113.0       1.7
     114.0       1.4
     115.0      25.8
     116.0       2.8
     126.0       3.2
     127.0      12.2
     128.0      22.7
     129.0      20.8
     130.0       2.2
     139.0      14.7
     140.0       7.1
     141.0      96.0
     142.0      36.8
     143.0       6.2
     144.0       1.0
     152.0       1.7
     153.0       1.5
     154.0       2.8
     155.0       2.5
     157.0       4.5
     168.0       1.9
     169.0      63.1
     170.0     100.0
     171.0      14.2
     172.0       3.0
     188.0      53.3
     189.0       7.0

400 MHz in DMSO-d6

2,3-BIS(HYDROXYMETHYL)NAPHTHALENE(31554-15-1) MS

¹H NMR	399.65 MHz
C₁₂ H₁₂ O₂	0.041 g : 0.5 ml DMSO-d₆
2,3-naphthalenedimethanol

    Assign.     Shift(ppm)

      A             7.900
      B             7.879
      C             7.456
      D             5.28
      E             4.726
     
     J(D,E)=5.6HZ

     Hz     ppm     Int.

   3157.47   7.901    968
   3153.56   7.891    367
   3150.27   7.883    317
   3147.46   7.876    333
   3144.04   7.867    376
   3141.24   7.860     69
   2988.16   7.477     67
   2984.74   7.469    485
   2981.45   7.461    389
   2978.52   7.453    383
   2975.22   7.445    466
   2971.68   7.436     57
   2114.87   5.292    397
   2109.38   5.279    907
   2103.88   5.265    433
   1891.48   4.733   1000
   1886.11   4.720    942
   1877.32   4.698     22
   1876.46   4.696     23

in DMSO-d6