delta-Hexalactone(823-22-3) MS
Product Namedelta-Hexalactone
CAS823-22-3
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
InChIKey RZTOWFMDBDPERY-UHFFFAOYSA-N
SmilesC1(=O)OC(C)CCC1
-
MassMS-IW-6579 delta-caprolactone C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.9 26.0 1.6 27.0 9.6 28.0 3.1 29.0 4.6 38.0 1.5 39.0 11.6 40.0 3.4 41.0 17.8 42.0 100.0 43.0 25.4 44.0 1.0 45.0 1.4 53.0 1.2 55.0 23.0 56.0 1.5 70.0 64.1 71.0 13.2 85.0 1.7 99.0 7.7 114.0 6.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H10 O2 0.047 g : 0.5 ml CDCl3 delta-caprolactone 
Assign. Shift(ppm)
A 4.908 B 2.29 C 1.64 D 1.55 E 1.214
Hz ppm Int.1969.97 4.930 72 1963.99 4.915 111 1958.01 4.900 100 1951.90 4.885 49 927.61 2.322 61 924.07 2.313 152 917.11 2.295 328 913.57 2.286 118 909.91 2.277 205 675.66 1.691 52 668.33 1.673 76 665.41 1.665 95 658.45 1.648 122 655.76 1.641 133 652.10 1.632 163 649.17 1.625 234 644.65 1.614 145 642.46 1.608 156 637.45 1.596 135 632.69 1.584 104 629.15 1.575 84 623.29 1.560 94 620.00 1.552 79 614.62 1.538 84 613.04 1.534 80 609.38 1.525 86 607.91 1.522 81 604.37 1.513 68 599.73 1.501 38 597.90 1.497 42 596.31 1.493 35 488.77 1.223 914 482.42 1.208 1000
in CDCl3
liquid film
