ALPHA-HYDROXY-GAMMA-BUTYROLACTONE(19444-84-9) IR1
Product NameALPHA-HYDROXY-GAMMA-BUTYROLACTONE
CAS19444-84-9
Molecular FormulaC4H6O3
Molecular Weight102.09
InChIInChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2
InChIKey FWIBCWKHNZBDLS-UHFFFAOYSA-N
SmilesO1CCC(O)C1=O
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MassMS-IW-4183 2-hydroxy-gamma-butyrolactone C4H6O3 (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.3 15.0 4.3 18.0 1.9 19.0 6.4 26.0 5.2 27.0 19.8 28.0 40.4 29.0 41.3 30.0 33.3 31.0 17.2 39.0 6.7 40.0 8.8 41.0 5.4 42.0 4.2 43.0 28.5 44.0 33.1 45.0 14.4 46.0 3.4 55.0 8.0 56.0 3.4 57.0 100.0 58.0 69.2 59.0 2.6 73.0 1.2 102.0 1.5 103.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H6 O3 0.05 ml : 0.5 ml CDCl3 2-hydroxy-gamma-butyrolactone 
Assign. Shift(ppm)
A 4.63 B 4.573 C 4.419 D 4.249 E 2.609 F 2.269
Hz ppm Int.1851.93 4.634 138 1837.04 4.597 745 1828.74 4.576 851 1826.78 4.571 856 1818.48 4.551 780 1811.16 4.532 63 1807.13 4.522 56 1806.88 4.522 56 1806.03 4.520 56 1805.79 4.519 56 1804.44 4.516 54 1803.71 4.514 54 1803.34 4.513 53 1802.61 4.511 53 1802.12 4.510 53 1800.42 4.505 51 1798.95 4.502 50 1797.85 4.499 49 1797.49 4.498 49 1796.51 4.496 48 1796.14 4.495 48 1794.68 4.491 47 1792.60 4.486 45 1792.24 4.485 45 1791.87 4.484 44 1791.50 4.483 44 1791.14 4.482 44 1790.53 4.481 43 1789.79 4.479 42 1789.31 4.478 42 1788.82 4.476 42 1786.99 4.472 40 1786.38 4.470 40 1786.01 4.469 39 1785.64 4.469 39 1785.40 4.468 39 1784.18 4.465 40 1782.35 4.460 40 1776.98 4.447 520 1775.02 4.442 536 1767.94 4.424 995 1765.99 4.419 1000 1759.03 4.402 704 1757.08 4.397 686 1751.34 4.383 75 1750.98 4.382 75 1750.61 4.381 74 1750.24 4.380 74 1735.60 4.343 30 1727.05 4.322 30 1725.95 4.319 32 1714.11 4.290 67 1710.69 4.281 723 1704.59 4.266 771 1701.42 4.258 630 1700.20 4.255 818 1695.43 4.243 661 1694.09 4.239 784 1691.04 4.232 631 1684.94 4.217 589 1679.93 4.204 39 1057.62 2.647 259 1055.66 2.642 268 1051.51 2.632 296 1049.44 2.626 478 1047.36 2.621 303 1045.04 2.615 345 1043.21 2.611 548 1041.26 2.606 315 1038.94 2.600 350 1036.87 2.595 540 1034.67 2.589 330 1030.64 2.579 306 1028.69 2.574 284 927.12 2.320 291 918.33 2.298 357 916.87 2.295 565 914.55 2.289 277 908.08 2.273 576 906.37 2.268 469 904.17 2.263 491 897.71 2.247 317 895.51 2.241 459 893.80 2.237 303 885.13 2.215 237 880.25 2.203 30
in CDCl3
liquid film
