3,5-DIHYDROXYANISOLE HYDRATE(2174-64-3) Raman
Product Name3,5-DIHYDROXYANISOLE HYDRATE
CAS2174-64-3
Molecular FormulaC7H8O3
Molecular Weight140.14
InChIInChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
InChIKey HDVRLUFGYQYLFJ-UHFFFAOYSA-N
SmilesC1(O)=CC(OC)=CC(O)=C1
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MassMS-NW-9929 5-methoxyresorcinol C7H8O3 (Mass of molecular ion: 140)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.0 27.0 2.0 28.0 1.1 29.0 1.3 38.0 1.5 39.0 4.4 40.0 1.0 41.0 3.8 42.0 2.0 43.0 2.2 50.0 1.5 51.0 2.9 53.0 3.1 54.0 1.6 55.0 4.7 63.0 1.1 65.0 2.4 66.0 1.4 68.0 2.6 69.0 11.4 70.0 1.8 71.0 1.1 79.0 3.0 81.0 3.0 82.0 6.9 83.0 1.6 93.0 4.5 94.0 1.6 95.0 1.8 96.0 1.5 97.0 5.4 109.0 2.0 110.0 23.7 111.0 39.5 112.0 2.8 121.0 1.3 139.0 7.8 140.0 100.0 141.0 8.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 O3 0.039 g : 0.5 ml DMSO-d6 5-methoxyresorcinol 
Assign. Shift(ppm)
A 9.20 B 5.849 C 5.807 D 3.626
Hz ppm Int.3675.23 9.197 847 3670.96 9.186 22 2339.94 5.855 90 2337.95 5.850 186 2335.82 5.845 144 2321.93 5.810 459 2319.79 5.805 351 1449.28 3.627 1000
in DMSO-d6
KBr disc
nujol mull
