4,5-DIPHENYL-2-MERCAPTOOXAZOLE(6670-13-9) MS
Product Name4,5-DIPHENYL-2-MERCAPTOOXAZOLE
CAS6670-13-9
Molecular FormulaC15H11NOS
Molecular Weight253.32
InChIInChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKey NYQSTRUSYDZNHC-UHFFFAOYSA-N
SmilesO1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)NC1=S
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MassMS-IW-9345 4,5-diphenyl-2-oxazolethiol C15H11NOS (Mass of molecular ion: 253)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
39.0 2.3 45.0 1.3 50.0 1.8 51.0 6.6 62.0 1.3 63.0 3.5 75.0 1.0 76.0 3.1 77.0 24.7 78.0 3.0 82.0 1.6 82.5 1.4 89.0 3.2 95.5 1.0 103.0 8.1 104.0 16.3 105.0 31.4 106.0 2.6 110.0 2.5 115.0 1.3 117.5 1.2 121.0 14.3 122.0 22.7 123.0 2.6 124.0 1.1 126.5 5.4 127.0 1.1 139.0 1.8 146.0 2.1 147.0 22.0 148.0 6.3 149.0 1.7 150.0 1.1 152.0 1.1 163.0 2.1 164.0 3.0 165.0 24.2 166.0 5.3 175.0 1.9 176.0 3.3 177.0 1.1 178.0 1.2 190.0 1.1 192.0 1.3 193.0 2.5 194.0 4.8 219.0 1.8 220.0 1.5 221.0 1.6 224.0 2.9 225.0 5.0 236.0 1.8 252.0 9.4 253.0 100.0 254.0 18.0 255.0 6.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H11 N O S 0.040 g : 0.5 ml DMSO-d6 4,5-diphenyl-2-oxazolethiol 
Assign. Shift(ppm)
A 13.7 B *1 7.53 C *2 7.50 D *2 7.43 E *1 7.39
Hz ppm Int.5487.85 13.732 206 3017.30 7.550 219 3013.82 7.542 372 3011.99 7.537 343 3010.16 7.532 492 3008.88 7.529 455 3007.41 7.526 644 3005.40 7.521 283 3003.93 7.517 246 3000.08 7.507 483 2998.07 7.502 940 2994.77 7.494 752 2991.48 7.486 547 2977.01 7.450 157 2976.09 7.447 165 2974.26 7.443 240 2973.52 7.441 223 2970.78 7.434 420 2967.85 7.427 768 2966.38 7.423 1000 2964.55 7.418 426 2961.44 7.411 737 2960.70 7.409 767 2958.51 7.403 331 2956.67 7.399 407 2955.57 7.396 392 2954.11 7.392 515 2948.43 7.378 174
KBr disc
nujol mull
