Product Name2-Chloro-9H-xanthen-9-one
CAS13210-15-6
Molecular FormulaC13H7ClO2
Molecular Weight230.65
InChIInChI=1S/C13H7ClO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey PRWJZNITVOUZBU-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)OC2=C1C=C(Cl)C=C2
Mass
MS-NW-8099 2-chloro-9-xanthenone C13H7ClO2 (Mass of molecular ion: 230)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.0 18.0 5.5 28.0 1.0 39.0 1.1 50.0 2.6 62.0 1.8 63.0 6.4 64.0 2.3 69.0 5.4 69.5 4.5 74.0 2.8 75.0 3.4 76.0 1.6 83.0 2.0 86.5 1.0 87.0 1.5 89.0 1.5 92.0 1.7 97.0 2.7 98.0 1.5 101.0 3.0 113.0 2.3 115.0 2.0 126.0 1.1 137.0 1.4 138.0 3.1 139.0 28.5 140.0 3.7 167.0 2.2 168.0 3.4 173.0 3.4 175.0 1.1 195.0 1.3 196.0 8.7 197.0 1.2 202.0 26.0 203.0 3.6 204.0 8.4 205.0 1.0 229.0 2.4 230.0 100.0 231.0 15.2 232.0 33.3 233.0 4.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C13 H7 Cl O2 | 0.048 g : 0.5 ml CDCl3 |
2-chloro-9-xanthenone |
Assign. Shift(ppm) |
Hz ppm Int.
746.88 8.340 195 746.19 8.332 212 745.06 8.320 230 744.50 8.313 245 739.31 8.255 587 738.81 8.250 611 736.75 8.227 726 736.25 8.221 639 700.06 7.817 113 698.25 7.797 117 693.38 7.743 157 691.44 7.721 310 689.81 7.703 237 688.44 7.687 324 685.88 7.659 262 684.75 7.646 364 683.69 7.634 100 682.94 7.626 303 679.50 7.588 654 676.94 7.559 623 671.25 7.495 207 670.56 7.488 278 669.88 7.480 452 669.19 7.472 360 666.75 7.445 1000 666.25 7.440 810 665.38 7.430 263 662.63 7.399 198 662.06 7.393 222 661.25 7.384 155 660.75 7.378 164 660.06 7.371 209 659.00 7.359 318 657.88 7.346 429 657.31 7.340 380 652.13 7.282 168 650.81 7.267 284
KBr disc
2-Chloro-9H-xanthen-9-one(13210-15-6) 1H NMR Atlas of Related Products
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