4-(2-HYDROXYETHOXY)SALICYLIC ACID(163451-82-9) IR1
Product Name4-(2-HYDROXYETHOXY)SALICYLIC ACID
CAS163451-82-9
Molecular FormulaC9H10O5
Molecular Weight198.17
InChIInChI=1S/C9H10O5/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKey INEIMLMPQGJCGK-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OCCO)C=C1O
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MassMS-IW-1769 4-(2-hydroxyethoxy)salicylic acid C9H10O5 (Mass of molecular ion: 198)
Source Temperature: 100 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 1.1 19.0 1.0 27.0 3.8 28.0 2.0 29.0 2.1 31.0 2.1 38.0 1.5 39.0 4.8 43.0 2.6 44.0 2.6 45.0 10.5 50.0 1.2 51.0 4.1 52.0 3.3 53.0 5.8 55.0 1.8 62.0 1.7 63.0 5.6 64.0 1.9 65.0 2.0 66.0 1.1 69.0 6.0 79.0 2.3 80.0 7.8 81.0 6.1 91.0 3.2 92.0 1.7 93.0 1.5 94.0 1.3 95.0 4.6 107.0 2.8 108.0 31.2 109.0 5.7 110.0 2.7 111.0 2.5 112.0 1.0 119.0 2.9 120.0 1.6 121.0 1.8 126.0 1.8 136.0 56.5 137.0 100.0 138.0 8.5 149.0 7.2 150.0 4.4 154.0 14.3 155.0 26.9 156.0 2.2 179.0 1.4 180.0 31.5 181.0 4.1 198.0 65.6 199.0 6.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H10 O5 0.031 g : 0.5 ml DMSO-d6 4-(2-hydroxyethoxy)salicylic acid 
Assign. Shift(ppm)
A 11.5 B 7.713 C 6.515 D 6.490 E 5. F 4.043 G 3.728
Hz ppm Int.3087.09 7.725 801 3082.69 7.714 33 3078.48 7.703 859 2609.76 6.531 462 2607.19 6.524 615 2600.96 6.509 348 2598.58 6.503 721 2594.92 6.493 1000 2592.54 6.488 614 1621.21 4.057 585 1616.44 4.045 864 1613.88 4.039 256 1611.32 4.032 662 1494.64 3.740 666 1492.26 3.734 271 1489.69 3.728 842 1484.93 3.716 575 1480.17 3.704 40
in DMSO-d6
KBr disc
nujol mull
