Product Name1,3-Propane sultone
CAS1120-71-4
Molecular FormulaC3H6O3S
Molecular Weight122.14
InChIInChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2
InChIKey FSSPGSAQUIYDCN-UHFFFAOYSA-N
SmilesO=S1(OCCC1)=O
Mass
MS-IW-5639 1,3-propanesultone C3H6O3S (Mass of molecular ion: 122)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 9.6 18.0 54.2 26.0 5.8 27.0 12.2 28.0 100.0 29.0 30.5 30.0 25.8 31.0 2.2 32.0 4.6 38.0 1.5 39.0 6.3 40.0 3.9 41.0 10.0 42.0 6.9 43.0 1.8 44.0 1.1 48.0 7.1 55.0 4.6 56.0 1.2 57.0 36.7 58.0 65.3 59.0 2.7 64.0 9.8 65.0 8.3 66.0 3.4 92.0 1.3 121.0 3.8 122.0 9.1 123.0 1.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C3 H6 O3 S | 0.040 g : 0.5 ml CDCl3 |
1,3-propanesultone |
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Assign. Shift(ppm) |
Hz ppm Int.
1801.88 4.509 561 1795.04 4.492 1000 1791.75 4.484 66 1790.53 4.481 64 1788.21 4.475 554 1784.67 4.466 32 1307.25 3.271 489 1299.56 3.252 587 1298.34 3.249 324 1291.75 3.233 545 1068.36 2.674 157 1065.67 2.667 37 1061.52 2.657 404 1060.42 2.654 216 1059.69 2.652 144 1054.81 2.640 340 1053.59 2.637 367 1052.86 2.635 344 1048.10 2.623 130 1046.02 2.618 324 1039.18 2.601 128
in CDCl3
KBr disc
liquid film
nujol mull
1,3-Propane sultone(1120-71-4) 1H NMR Atlas of Related Products
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