3-BENZYLRHODANINE(10574-69-3) IR2
Product Name3-BENZYLRHODANINE
CAS10574-69-3
Molecular FormulaC10H9NOS2
Molecular Weight223.31
InChIInChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey ZFHVUMCTGGAWBM-UHFFFAOYSA-N
SmilesS1CC(=O)N(CC2=CC=CC=C2)C1=S
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MassMS-IW-6147 3-benzyl-2-thioxo-4-thiazolidinone C10H9NOS2 (Mass of molecular ion: 223)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 5.1 41.0 1.4 45.0 2.9 46.0 2.1 50.0 1.4 51.0 3.8 63.0 3.8 64.0 1.3 65.0 14.4 72.0 1.0 77.0 2.9 83.0 1.4 89.0 5.1 90.0 2.7 91.0 71.7 92.0 5.7 97.5 2.5 104.0 8.1 105.0 2.1 116.0 3.1 117.0 1.9 118.0 1.5 121.0 4.0 122.0 1.9 123.0 1.8 135.0 1.3 136.0 1.5 146.0 8.9 147.0 8.8 148.0 68.2 149.0 13.1 150.0 4.4 181.0 1.2 223.0 100.0 224.0 13.0 225.0 9.8 226.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H9 N O S2 0.040 g : 0.5 ml CDCl3 3-benzyl-2-thioxo-4-thiazolidinone 
Assign. Shift(ppm)
A 7.419 B 7.30 to 7.28 C 5.164 D 3.934
Hz ppm Int.2970.95 7.434 104 2968.75 7.429 92 2966.80 7.424 53 2966.19 7.422 45 2965.33 7.420 61 2964.60 7.418 76 2963.50 7.416 107 2962.89 7.414 151 2961.30 7.410 144 2926.76 7.324 38 2923.22 7.315 51 2921.14 7.310 41 2918.46 7.303 155 2917.72 7.301 159 2916.14 7.297 88 2913.57 7.291 111 2912.60 7.288 127 2911.25 7.285 223 2910.52 7.283 226 2909.42 7.280 123 2907.59 7.276 32 2905.88 7.272 47 2904.54 7.268 40 2063.72 5.164 495 1572.39 3.935 1000
in CDCl3
KBr disc
nujol mull
