Ninhydrin hydrate(485-47-2) MS
Product NameNinhydrin hydrate
CAS485-47-2
Molecular FormulaC9H6O4
Molecular Weight178.14
InChIInChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
InChIKey FEMOMIGRRWSMCU-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C(=O)C1(O)O
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MassMS-NW-0422 ninhydrin C9H6O4 (Mass of molecular ion: 178)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.8 18.0 14.1 28.0 2.1 37.0 7.6 37.5 3.2 38.0 11.7 39.0 1.2 49.0 4.3 50.0 33.8 51.0 3.2 52.0 5.8 53.0 1.5 61.0 2.1 62.0 1.5 66.0 2.2 73.0 2.8 74.0 10.4 75.0 7.4 76.0 79.8 77.0 8.3 104.0 100.0 105.0 11.4 122.0 2.8 132.0 36.7 133.0 4.5 150.0 1.4 160.0 13.9 161.0 1.7
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H6 O4 0.041 g : 0.5 ml DMSO-d6 ninhydrin 
Assign. Shift(ppm)
A 8.05 to 8.03 B 7.53
Hz ppm Int.723.75 8.082 48 721.06 8.052 1000 720.00 8.040 563 719.50 8.034 669 674.31 7.530 287
in DMSO-d6
DMSO-d6
KBr disc
nujol mull
REDUCTION WITH ZN IN ALKALINE SOLUTION
