Product Name4,4'-Diphenylmethane diisocyanate
CAS101-68-8
Molecular FormulaC15H10N2O2
Molecular Weight250.25
InChIInChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChIKey UPMLOUAZCHDJJD-UHFFFAOYSA-N
SmilesC(C1=CC=C(N=C=O)C=C1)C1=CC=C(N=C=O)C=C1
Mass
MS-NW-0644 methylenedi(p-phenylene) diisocyanate C15H10N2O2 (Mass of molecular ion: 250)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 1.9 28.0 1.3 38.0 1.7 39.0 5.7 50.0 3.3 51.0 7.6 52.0 2.4 62.0 2.2 63.0 6.3 64.0 3.1 69.5 1.3 74.0 1.0 75.0 2.1 76.0 6.7 77.0 11.6 78.0 4.3 83.0 1.4 83.5 1.2 88.0 1.2 89.0 2.1 89.5 1.0 90.0 4.8 91.0 1.4 96.5 1.0 102.0 1.8 103.0 5.0 104.0 3.4 111.0 1.0 114.0 1.1 115.0 1.4 116.0 1.0 119.0 1.1 125.0 2.0 127.0 1.4 132.0 20.0 133.0 1.9 139.0 1.6 140.0 2.9 141.0 1.0 151.0 2.4 152.0 3.0 153.0 2.8 156.0 1.4 164.0 1.2 165.0 11.4 166.0 5.6 167.0 1.6 177.0 1.4 178.0 2.0 179.0 1.4 180.0 13.4 181.0 2.1 190.0 1.2 192.0 1.0 193.0 2.9 194.0 3.4 195.0 1.5 206.0 6.1 207.0 3.6 208.0 54.7 209.0 8.6 221.0 26.8 222.0 6.4 249.0 12.7 250.0 100.0 251.0 16.7 252.0 1.8
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C15 H10 N2 O2 | 0.038 g : 0.5 ml CDCl3 |
methylenedi(p-phenylene) diisocyanate |
Assign. Shift(ppm) |
Hz ppm Int.
640.13 7.148 101 639.38 7.140 79 637.44 7.118 59 636.50 7.107 32 634.25 7.082 83 631.56 7.052 746 629.50 7.029 360 628.25 7.015 1000 625.50 6.985 150 624.44 6.973 46 623.75 6.965 30 622.31 6.949 80 620.38 6.927 102 619.50 6.918 149 618.25 6.904 38 349.13 3.899 429
in CDCl3
KBr disc
nujol mull
4,4'-Diphenylmethane diisocyanate(101-68-8) 13C NMR Atlas of Related Products
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