Xanthene(92-83-1) 1H NMR
Molecular FormulaC13H10O
Molecular Weight182.22
InChIInChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKey GJCOSYZMQJWQCA-UHFFFAOYSA-N
SmilesC1C2=C(C=CC=C2)OC2=C1C=CC=C2
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MassMS-NW-0107 xanthene C13H10O (Mass of molecular ion: 182)
Source Temperature: 120 °C Sample Temperature: 0 °C Direct, 75 eV
39.0 1.0 51.0 1.7 63.0 2.2 64.0 1.1 75.0 1.1 76.0 6.2 76.5 1.0 77.0 1.4 90.5 3.6 91.0 4.8 126.0 1.2 127.0 1.6 150.0 1.1 151.0 3.0 152.0 10.9 153.0 2.4 180.0 1.1 181.0 100.0 182.0 55.2 183.0 7.4 184.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C13 H10 O 0.020 g : 0.5 ml CDCl3 xanthene 
Assign. Shift(ppm)
A 7.32 to 6.89 B 4.031
Hz ppm Int.646.19 7.216 76 643.88 7.190 246 643.06 7.181 176 642.50 7.174 116 641.56 7.164 128 640.69 7.154 102 639.81 7.144 102 637.81 7.122 733 637.13 7.115 772 633.19 7.071 1000 632.38 7.061 736 630.50 7.040 130 628.00 7.013 209 625.94 6.990 318 623.69 6.964 82 621.56 6.941 80 619.81 6.921 70 617.88 6.900 79 361.06 4.032 487
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1H NMR 399.65 MHz C13 H10 O 20.4 mg : 0.5 ml CDCl3 xanthene Assign. Shift(ppm)
A 7.18 B 7.16 C 7.04 D 7.02 E 4.038
Hz ppm Int.2889.04 7.229 433 2881.47 7.210 123 2880.74 7.209 241 2879.76 7.206 205 2879.03 7.204 304 2878.30 7.203 159 2875.98 7.197 37 2874.27 7.192 161 2873.54 7.191 335 2872.56 7.188 502 2871.83 7.186 587 2870.85 7.184 487 2870.12 7.182 248 2865.48 7.170 484 2864.50 7.168 703 2863.77 7.166 802 2863.04 7.164 614 2862.30 7.163 418 2861.82 7.161 280 2857.91 7.152 267 2856.93 7.149 545 2856.45 7.148 646 2855.22 7.145 519 2854.74 7.144 416 2854.25 7.142 285 2853.76 7.141 217 2849.12 7.130 34 2819.09 7.054 549 2818.73 7.053 612 2817.87 7.051 815 2813.84 7.041 61 2811.16 7.035 923 2810.55 7.033 717 2809.94 7.032 892 2804.08 7.017 716 2802.73 7.013 591 2796.51 6.998 384 2795.17 6.995 346 1613.89 4.039 1000
in CDCl3
KBr disc
nujol mull
