Pyridoxine hydrochloride(58-56-0) 13C NMR
Product NamePyridoxine hydrochloride
CAS58-56-0
Molecular FormulaC8H12ClNO3
Molecular Weight205.64
InChIInChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
InChIKey ZUFQODAHGAHPFQ-UHFFFAOYSA-N
SmilesC1(CO)=C(O)C(=NC=C1CO)C.Cl
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MassMS-NW-9241 pyridoxine hydrochloride C8H11NO3 HCl (Mass of molecular ion: 169)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.4 18.0 7.5 26.0 1.2 27.0 7.3 28.0 6.0 29.0 3.5 31.0 4.6 35.0 4.4 36.0 40.1 37.0 1.7 38.0 13.4 39.0 19.2 40.0 2.4 41.0 5.6 42.0 12.1 43.0 4.7 50.0 2.7 51.0 9.8 52.0 6.5 53.0 14.3 54.0 12.2 55.0 5.6 63.0 2.2 64.0 1.9 65.0 6.1 66.0 4.2 67.0 9.2 68.0 2.6 69.0 1.9 77.0 4.6 78.0 3.5 79.0 4.0 80.0 11.7 81.0 18.2 82.0 13.1 83.0 1.4 92.0 4.8 93.0 4.7 94.0 92.1 95.0 10.1 96.0 1.2 104.0 1.6 105.0 5.8 106.0 82.5 107.0 18.2 108.0 9.0 109.0 1.7 110.0 2.5 120.0 4.3 121.0 1.9 122.0 28.9 123.0 10.3 124.0 2.2 133.0 11.2 134.0 2.5 135.0 1.3 136.0 15.3 137.0 1.5 138.0 2.8 149.0 1.7 150.0 10.6 151.0 100.0 152.0 12.4 153.0 3.1 169.0 77.6 170.0 11.5 171.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H11 N O3 0.045 g : 0.5 ml DMSO-d6 pyridoxine hydrochloride 
Assign. Shift(ppm)
A 8.122 B 6. C 4.794 D 4.723 E 2.617
Hz ppm Int.3245.97 8.123 326 1915.89 4.794 701 1887.70 4.724 514 1046.02 2.618 1000
in D2O
KBr disc
nujol mull
