Product Name4-Hydroxy-6-methyl-2-pyrone
CAS675-10-5
Molecular FormulaC6H6O3
Molecular Weight126.11
InChIInChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChIKey NSYSSMYQPLSPOD-UHFFFAOYSA-N
SmilesC1(=O)OC(C)=CC(O)=C1
Mass
MS-IW-1773 4-hydroxy-6-methyl-2-pyrone C6H6O3 (Mass of molecular ion: 126)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
14.0 1.5 15.0 3.4 25.0 1.0 26.0 4.3 27.0 8.6 28.0 2.8 29.0 4.9 37.0 3.3 38.0 5.7 39.0 10.3 40.0 2.9 41.0 9.3 42.0 32.2 43.0 86.4 44.0 2.9 50.0 2.0 51.0 1.6 52.0 1.1 53.0 3.8 54.0 1.4 55.0 17.8 56.0 3.0 58.0 1.4 66.0 1.3 68.0 2.0 69.0 100.0 70.0 5.3 83.0 1.0 84.0 10.8 85.0 51.5 86.0 2.5 97.0 2.2 98.0 95.3 99.0 5.6 111.0 31.9 112.0 1.8 126.0 85.2 127.0 6.0
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C6 H6 O3 | 0.034 g : 0.5 ml DMSO-d6 |
4-hydroxy-6-methyl-2-pyrone |
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Assign. Shift(ppm) |
Hz ppm Int.
4645.29 11.624 64 2385.74 5.970 208 2384.83 5.968 236 2383.55 5.965 235 2382.63 5.962 202 2090.11 5.230 261 2089.75 5.229 262 2087.91 5.225 253 2087.55 5.224 251 866.19 2.168 1000
in DMSO-d6
KBr disc
nujol mull
4-Hydroxy-6-methyl-2-pyrone(675-10-5) Raman Atlas of Related Products
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