n-Propyl nitrate(627-13-4) 1H NMR
Product Namen-Propyl nitrate
CAS627-13-4
Molecular FormulaC3H7NO3
Molecular Weight105.09
InChIInChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKey JNTOKFNBDFMTIV-UHFFFAOYSA-N
Smiles[N+]([O-])(=O)OCCC
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MassMS-NW-8871 propyl nitrate C3H7NO3 (Mass of molecular ion: 105)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.8 26.0 3.1 27.0 22.7 28.0 9.1 29.0 52.3 30.0 15.0 31.0 18.3 39.0 2.9 41.0 11.8 42.0 4.0 43.0 32.2 44.0 1.5 46.0 100.0 55.0 1.6 57.0 3.9 58.0 1.1 60.0 1.4 76.0 45.0
parameter in CCl4
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1H NMR 300 MHz C3 H7 N O3 in CCl4 propyl nitrate 
Parameter ppm Hz
D(A) 4.39 D(B) 1.78 D(C) 1.06 J(A,B) 6.5 J(A,C) 0.0 J(B,C) 7.6 CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)
Hz ppm Int.1323.53 4.412 370 1317.04 4.390 750 1310.55 4.368 382 552.08 1.840 37 545.40 1.818 86 544.41 1.815 125 537.89 1.793 248 536.91 1.790 153 530.33 1.768 260 523.77 1.746 134 522.95 1.743 103 516.30 1.721 44 325.47 1.085 510 317.87 1.060 1000 310.31 1.034 437
liquid film
4880 A,200 M,liquid
