Product Namem-Phthalaldehyde
CAS626-19-7
Molecular FormulaC8H6O2
Molecular Weight134.13
InChIInChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
InChIKey IZALUMVGBVKPJD-UHFFFAOYSA-N
SmilesC1(C=O)=CC=CC(C=O)=C1
Mass
MS-NW-9162 isophthalaldehyde C8H6O2 (Mass of molecular ion: 134)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.0 28.0 2.1 29.0 5.0 37.0 2.2 38.0 3.0 39.0 3.2 49.0 1.7 50.0 17.1 51.0 37.2 52.0 5.4 53.0 1.1 61.0 1.4 62.0 1.8 63.0 2.0 73.0 1.7 74.0 7.7 75.0 6.0 76.0 7.5 77.0 51.5 78.0 5.4 104.0 1.1 105.0 67.0 106.0 5.4 133.0 92.4 134.0 100.0 135.0 9.5 167.0 1.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H6 O2 | 10.0 mol% in CDCl3 |
isophthalaldehyde |
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Assign. Shift(ppm) |
Hz ppm Int.
907.00 10.128 1000 906.56 10.123 930 753.31 8.412 118 752.63 8.404 116 751.63 8.393 220 751.00 8.386 225 749.94 8.374 164 749.31 8.367 146 736.81 8.228 235 735.94 8.218 262 735.25 8.210 201 734.19 8.198 199 729.13 8.142 366 728.56 8.135 346 727.38 8.122 339 726.94 8.117 321 701.31 7.831 79 700.88 7.826 142 700.19 7.819 127 699.75 7.814 63 694.50 7.755 65 694.00 7.749 111 693.44 7.743 107 693.00 7.738 95 692.56 7.733 98 691.88 7.726 82 691.44 7.721 42 686.19 7.662 39 685.75 7.657 68 685.13 7.650 59
in CDCl3
KBr disc
nujol mull
m-Phthalaldehyde(626-19-7) Raman Atlas of Related Products
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