Product Name2-Formylphenoxyacetic acid
CAS6280-80-4
Molecular FormulaC9H8O4
Molecular Weight180.16
InChI
InChIKey
Smiles
Mass
MS-IW-0713 (o-formylphenoxy)acetic acid C9H8O4 (Mass of molecular ion: 180)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.2 18.0 6.9 28.0 2.3 29.0 1.0 38.0 1.3 39.0 6.4 44.0 2.4 50.0 4.2 51.0 10.5 52.0 1.3 53.0 1.3 60.0 1.1 63.0 3.3 64.0 3.2 65.0 10.9 66.0 1.3 74.0 1.1 75.0 1.2 76.0 8.4 77.0 36.9 78.0 5.6 79.0 5.5 90.0 2.4 91.0 2.8 92.0 10.3 93.0 16.0 94.0 4.5 104.0 4.3 105.0 16.3 106.0 5.8 107.0 5.6 118.0 6.0 119.0 4.1 120.0 22.8 121.0 100.0 122.0 10.4 123.0 1.7 133.0 1.2 134.0 8.7 135.0 16.5 136.0 11.0 137.0 1.0 162.0 36.6 163.0 3.9 180.0 18.7 181.0 2.5
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C9 H8 O4 | 0.039 g : 0.5 ml DMSO-d6 |
(o-formylphenoxy)acetic acid |
Assign. Shift(ppm) |
Hz ppm Int.
4183.72 10.469 539 4183.08 10.467 485 3095.00 7.745 164 3093.29 7.740 181 3087.31 7.726 178 3085.60 7.721 190 3063.16 7.665 103 3061.24 7.660 95 3055.90 7.647 134 3054.61 7.644 154 3053.97 7.642 139 3052.90 7.639 120 3047.35 7.626 123 3045.64 7.621 106 2868.28 7.177 214 2860.16 7.157 200 2851.19 7.135 92 2850.55 7.133 127 2849.69 7.131 83 2843.07 7.114 205 2836.23 7.097 82 2835.37 7.095 112 2834.73 7.094 71 1962.69 4.912 1000
in DMSO-d6
KBr disc
nujol mull
2-Formylphenoxyacetic acid(6280-80-4) 13C NMR Atlas of Related Products
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