Product Name2-Methylresorcinol
CAS608-25-3
Molecular FormulaC7H8O2
Molecular Weight124.14
InChIInChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
InChIKey ZTMADXFOCUXMJE-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(O)=C1C
Mass
MS-NW-0135 2,6-dihydroxytoluene C7H8O2 (Mass of molecular ion: 124)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
26.0 1.1 27.0 5.0 29.0 1.8 37.0 1.2 38.0 3.1 39.0 11.3 40.0 2.6 41.0 7.3 43.0 2.9 50.0 2.9 51.0 7.3 52.0 3.7 53.0 3.1 55.0 5.9 62.0 2.5 63.0 1.9 65.0 4.2 66.0 4.3 67.0 10.0 68.0 2.0 69.0 5.8 74.0 1.0 77.0 10.7 78.0 16.0 79.0 3.3 81.0 3.0 82.0 1.1 94.0 2.6 95.0 19.0 96.0 9.4 105.0 8.3 106.0 10.5 107.0 10.0 123.0 45.3 124.0 100.0 125.0 8.1 138.0 1.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C7 H8 O2 | 0.046 g : 0.5 ml CDCl3 |
2,6-dihydroxytoluene |
Assign. Shift(ppm) |
Hz ppm Int.
628.25 7.015 53 627.69 7.009 56 620.75 6.932 63 620.38 6.927 82 619.56 6.918 91 618.94 6.911 81 612.13 6.835 101 611.56 6.829 108 611.00 6.823 51 575.81 6.430 378 568.44 6.348 169 568.00 6.343 219 567.56 6.338 210 567.19 6.334 165 423.88 4.733 348 421.00 4.701 52 191.88 2.143 1000 191.38 2.137 992
in CDCl3
KBr disc
nujol mull
2-Methylresorcinol(608-25-3) IR2 Atlas of Related Products
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