D-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol(716-61-0) IR1
Product NameD-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CAS716-61-0
Molecular FormulaC9H12N2O4
Molecular Weight212.2
InChIInChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1
InChIKey OCYJXSUPZMNXEN-RKDXNWHRSA-N
Smiles[C@H](C1=CC=C([N+]([O-])=O)C=C1)(O)[C@H](N)CO
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MassMS-NW-7933 D-(-)-threo--2-amino-1-(p-nitrophenyl)-1,3-propanediol C9H12N2O4 (Mass of molecular ion: 212)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 2.2 18.0 1.8 28.0 2.4 30.0 4.6 31.0 1.0 39.0 1.4 42.0 13.8 43.0 2.7 50.0 1.3 51.0 2.7 52.0 1.1 60.0 100.0 61.0 2.7 77.0 3.5 78.0 2.3 89.0 1.3 90.0 1.7 91.0 1.0 105.0 1.9 106.0 4.3 117.0 3.5 118.0 1.4 136.0 4.3 153.0 3.4 181.0 3.8
KBr disc
nujol mull
4880 A,200 M,powder
