Borane-pyridine complex(110-51-0) IR1
Product NameBorane-pyridine complex
CAS110-51-0
Molecular FormulaC5H8BN
Molecular Weight92.93
InChIInChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3
InChIKey LPGWNCNRGQANGC-UHFFFAOYSA-N
Smiles[N+]1([BH3-])C=CC=CC=1
-
MassMS-IW-3731 borane-pyridine complex C5H5N H3B (Mass of molecular ion: 93)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 8.1 27.0 3.4 28.0 3.6 29.0 1.1 31.0 2.4 36.0 1.9 37.0 6.5 38.0 5.9 38.5 1.4 39.0 12.4 39.5 1.0 40.0 1.5 45.0 1.4 45.5 1.3 49.0 4.5 50.0 21.5 51.0 34.8 52.0 81.4 53.0 9.9 59.0 1.2 61.0 1.7 62.0 2.8 63.0 6.4 64.0 7.8 65.0 5.6 66.0 1.3 75.0 2.2 76.0 1.7 78.0 13.9 79.0 100.0 80.0 8.6 89.0 2.6 90.0 11.9 91.0 16.2 92.0 29.4 93.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H5 N 0.05 ml : 0.5 ml CDCl3 borane-pyridine complex 
Assign. Shift(ppm)
A 8.59 B 7.987 C 7.568 D 2.68
Hz ppm Int.3439.82 8.608 250 3435.55 8.597 962 3429.57 8.582 829 3201.90 8.012 145 3200.44 8.009 267 3199.83 8.007 257 3198.36 8.003 140 3192.75 7.989 545 3192.14 7.988 522 3186.52 7.974 180 3184.94 7.970 310 3184.45 7.969 299 3182.86 7.965 165 3031.37 7.586 928 3030.03 7.582 479 3025.88 7.572 547 3024.66 7.569 1000 3023.56 7.566 914 3016.97 7.550 772 1210.45 3.029 42 1120.85 2.805 57 1080.57 2.704 33 1018.07 2.548 56 928.96 2.325 41
in CDCl3
KBr disc
nujol mull
