Iminostilbene(256-96-2) IR1
Product NameIminostilbene
CAS256-96-2
Molecular FormulaC14H11N
Molecular Weight193.24
InChIInChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKey LCGTWRLJTMHIQZ-UHFFFAOYSA-N
SmilesN1C2=CC=CC=C2C=CC2=CC=CC=C12
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MassMS-NW-8234 5H-dibenz(b,f)azepine C14H11N (Mass of molecular ion: 193)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
63.0 1.3 81.5 1.0 82.0 1.4 82.5 1.8 83.5 5.0 89.0 1.6 90.0 1.1 95.5 5.1 96.0 1.3 96.5 6.3 97.0 1.0 139.0 1.8 140.0 1.3 163.0 1.9 164.0 2.5 165.0 11.5 166.0 4.3 167.0 5.4 177.0 1.0 178.0 1.0 190.0 5.4 191.0 12.0 192.0 21.9 193.0 100.0 194.0 15.6 195.0 1.4
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H11 N 0.049 g : 0.5 ml DMSO-d6 5H-dibenz(b,f)azepine 
Assign. Shift(ppm)
A 6.959 B 6.93 C 6.732 D 6.685 E 6.621 F 6.069 90MHZ : HSP-04-955
Hz ppm Int.2790.53 6.983 154 2788.70 6.978 181 2782.59 6.963 276 2781.49 6.960 301 2775.39 6.945 207 2773.68 6.941 245 2769.65 6.931 252 2700.07 6.757 30 2696.66 6.748 186 2695.07 6.744 232 2689.21 6.729 402 2687.62 6.725 402 2678.34 6.702 264 2677.37 6.700 318 2671.14 6.684 311 2670.04 6.681 366 2663.70 6.666 132 2662.72 6.663 151 2649.54 6.630 377 2641.60 6.610 333 2425.54 6.070 1000
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1H NMR 89.56 MHz C14 H11 N 0.042 g : 0.5 ml DMSO-d6 5H-dibenz(b,f)azepine Assign. Shift(ppm)
A 6.94 B 6.90 C 6.73 D 6.69 E 6.063 400MHZ : HSP-42-304 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.632.24 7.060 98 630.96 7.046 30 630.62 7.042 30 628.99 7.024 112 627.97 7.012 44 626.43 6.995 135 624.72 6.976 161 623.69 6.964 138 622.41 6.950 144 620.96 6.934 185 618.74 6.909 331 615.66 6.875 334 611.56 6.829 61 610.28 6.815 54 606.95 6.778 110 603.87 6.743 194 602.50 6.728 753 601.65 6.718 597 599.51 6.694 338 596.95 6.666 406 596.35 6.659 454 595.75 6.652 416 595.07 6.645 432 590.80 6.597 65 588.23 6.569 238 543.12 6.065 1000 537.90 6.007 34
DMSO-d6
KBr disc
nujol mull
