Cyclopentanethiol(1679-07-8) MS
Product NameCyclopentanethiol
CAS1679-07-8
Molecular FormulaC5H10S
Molecular Weight102.2
InChIInChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChIKey WVDYBOADDMMFIY-UHFFFAOYSA-N
SmilesC1(S)CCCC1
-
MassMS-NW-4007 cyclopentanethiol C5H10S (Mass of molecular ion: 102)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.3 27.0 8.4 28.0 2.0 29.0 2.5 37.0 1.0 38.0 2.2 39.0 19.5 40.0 4.6 41.0 69.5 42.0 4.3 43.0 1.8 45.0 11.7 46.0 1.6 47.0 4.9 51.0 1.1 53.0 6.3 55.0 3.4 58.0 2.6 59.0 6.7 60.0 23.6 61.0 3.4 62.0 1.5 65.0 2.6 66.0 1.6 67.0 35.7 68.0 35.8 69.0 100.0 70.0 5.5 71.0 1.6 73.0 11.5 74.0 6.0 87.0 1.5 102.0 46.3 103.0 3.0 104.0 2.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H10 S 0.05 ml : 0.5 ml CDCl3 cyclopentanethiol 
Assign. Shift(ppm)
A 3.194 B *1 2.04 C *2 1.79 D 1.62 E *1 1.59 F *2 1.51 ASSIGNED BY H-H COSY.
Hz ppm Int.1280.52 3.205 233 1274.17 3.189 233 1273.68 3.187 222 820.19 2.053 262 815.31 2.041 213 814.09 2.038 219 813.60 2.036 229 808.47 2.023 212 717.77 1.796 303 715.82 1.792 239 714.60 1.789 250 651.12 1.630 1000 645.26 1.615 991 636.96 1.594 213 634.89 1.589 301 633.79 1.586 233 631.47 1.581 231 630.25 1.578 308 606.32 1.518 218 604.49 1.513 224 599.37 1.500 225
in CDCl3
liquid film
