Phenanthridine(229-87-8) Raman
Product NamePhenanthridine
CAS229-87-8
Molecular FormulaC13H9N
Molecular Weight179.22
InChIInChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
InChIKey RDOWQLZANAYVLL-UHFFFAOYSA-N
SmilesC1C2C(=NC=C3C=2C=CC=C3)C=CC=1
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MassMS-NW-8646 phenanthridine C13H9N (Mass of molecular ion: 179)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
17.0 1.0 18.0 5.4 39.0 1.3 50.0 1.7 51.0 1.9 62.0 1.4 63.0 5.9 74.0 1.9 75.0 4.4 75.5 2.6 76.0 11.0 76.5 1.5 77.0 1.2 87.0 1.0 89.0 2.2 89.5 5.6 99.0 1.1 125.0 1.3 126.0 2.5 127.0 1.1 150.0 4.8 151.0 11.3 152.0 8.9 153.0 4.4 177.0 4.5 178.0 17.1 179.0 100.0 180.0 14.4 181.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H9 N 0.036 g : 0.5 ml CDCl3 phenanthridine 
Assign. Shift(ppm)
A 9.256 B 8.537 C 8.517 D 8.188 E 7.987 F 7.880 G 7.723 J 7.65 K 7.64 ASSIGNED BY C-H COSY
Hz ppm Int.3699.49 9.257 768 3416.29 8.549 520 3407.59 8.527 1000 3400.73 8.510 497 3399.35 8.506 500 3277.28 8.201 468 3276.06 8.198 493 3269.04 8.180 515 3267.97 8.178 530 3196.72 7.999 458 3196.11 7.998 476 3188.78 7.979 520 3188.17 7.978 535 3126.22 7.823 298 3124.85 7.819 308 3119.05 7.805 420 3117.83 7.802 640 3116.61 7.799 346 3110.81 7.784 379 3109.44 7.781 365 3095.70 7.747 266 3094.18 7.743 284 3088.68 7.729 446 3087.31 7.726 571 3086.09 7.722 320 3080.60 7.709 401 3079.07 7.705 394 3066.71 7.674 426 3065.64 7.671 451 3063.20 7.665 412 3061.68 7.661 436 3058.78 7.654 705 3057.86 7.652 516 3056.03 7.647 352 3054.81 7.644 594 3053.59 7.641 445 3051.76 7.637 343 3050.69 7.634 336 3047.94 7.627 267 3046.57 7.624 256
in CDCl3
KBr disc
nujol mull
