Product NameLACTIC ACID ISOAMYL ESTER
CAS19329-89-6
Molecular FormulaC8H16O3
Molecular Weight160.21
InChIInChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKey CRORGGSWAKIXSA-UHFFFAOYSA-N
SmilesC(OCCC(C)C)(=O)C(O)C
Mass
MS-NW-5733 isopentyl lactate C8H16O3 (Mass of molecular ion: 160)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.0 18.0 1.1 19.0 2.5 26.0 1.2 27.0 12.7 28.0 3.2 29.0 12.1 31.0 3.9 39.0 5.7 40.0 1.0 41.0 18.9 42.0 10.6 43.0 67.8 44.0 3.0 45.0 100.0 46.0 3.0 53.0 1.0 55.0 25.4 56.0 4.3 57.0 5.1 59.0 2.4 63.0 1.1 69.0 3.5 70.0 34.7 71.0 25.0 72.0 1.6 73.0 1.3 74.0 1.4 75.0 3.5 87.0 1.8 89.0 2.1 91.0 1.9 115.0 1.6
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H16 O3 | 0.04 ml : 0.5 ml CDCl3 |
isopentyl lactate |
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Assign. Shift(ppm) |
Hz ppm Int.
392.69 4.385 48 387.31 4.325 54 385.69 4.307 148 384.00 4.288 162 380.56 4.250 64 378.75 4.230 185 377.38 4.214 288 375.00 4.188 52 374.13 4.178 53 373.81 4.174 56 371.75 4.151 106 370.88 4.142 162 367.00 4.098 35 364.13 4.066 56 361.19 4.033 46 358.06 3.998 59 296.94 3.316 201 147.88 1.652 105 146.69 1.638 91 146.00 1.631 94 142.13 1.587 202 140.19 1.566 128 139.50 1.558 114 137.38 1.534 90 137.25 1.533 90 135.44 1.513 146 134.13 1.498 168 131.00 1.463 272 130.00 1.452 766 128.31 1.433 106 127.13 1.420 127 124.13 1.386 242 123.06 1.375 684 86.50 0.966 1000 83.50 0.933 169 80.56 0.900 841
in CDCl3
liquid film
4880 A,200 M,powder
LACTIC ACID ISOAMYL ESTER(19329-89-6) MS Atlas of Related Products
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