(R)-1-(4-NITRO-PHENYL)-ETHYLAMINE(22038-87-5) IR1
Product Name(R)-1-(4-NITRO-PHENYL)-ETHYLAMINE
CAS22038-87-5
Molecular FormulaC8H10N2O2
Molecular Weight166.18
InChIInChI=1/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/s3
InChIKey RAEVOBPXEHVUFY-ISZMHOAENA-N
Smiles[C@@H](C1C=CC(N(=O)=O)=CC=1)(N)C |&1:0,r|
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MassMS-IW-3639 (R)-(-)-alpha-methyl-4-nitrobenzylamine hydrochloride C8H10N2O2 HCl (Mass of molecular ion: 166)
Source Temperature: 110 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 1.3 28.0 2.5 35.0 1.3 36.0 13.0 38.0 4.3 39.0 1.3 42.0 3.6 43.0 4.6 44.0 9.7 50.0 2.4 51.0 3.2 52.0 1.4 63.0 1.1 65.0 1.1 66.0 1.0 74.0 1.0 75.0 1.0 76.0 1.8 77.0 6.2 78.0 3.7 91.0 1.9 93.0 3.9 103.0 2.4 104.0 9.0 105.0 28.7 106.0 2.5 107.0 2.1 118.0 1.6 119.0 4.9 121.0 2.0 151.0 100.0 152.0 8.5 165.0 2.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H10 N2 O2 0.037 g : 0.5 ml DMSO-d6 (R)-(-)-alpha-methyl-4-nitrobenzylamine hydrochloride 
Assign. Shift(ppm)
A 9.00 B 8.281 C 7.898 D 4.604 E 1.588
Hz ppm Int.3598.33 9.004 491 3316.80 8.300 96 3314.21 8.293 689 3312.38 8.289 309 3307.34 8.276 260 3305.36 8.271 828 3163.15 7.915 112 3160.86 7.910 700 3153.84 7.892 237 3152.01 7.887 657 1850.28 4.630 72 1843.41 4.613 237 1836.70 4.596 241 1829.83 4.579 74 637.97 1.597 995 631.26 1.580 1000
in DMSO-d6
KBr disc
nujol mull
