L-Homoserine lactone hydrochloride(2185-03-7) 13C NMR
Product NameL-Homoserine lactone hydrochloride
CAS2185-03-7
Molecular FormulaC4H8ClNO2
Molecular Weight137.56
InChIInChI=1/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/s3
InChIKey XBKCXPRYTLOQKS-OQFXAWDINA-N
Smiles[C@H]1(N)CCOC1=O.Cl |&1:0,r|
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MassMS-KW-0090 (S)-3-amino-4,5-dihydro-2(3H)-furanone hydrochloride C4H7NO2 HCl (Mass of molecular ion: 101)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
14.0 1.2 15.0 5.1 17.0 1.7 17.5 1.0 18.0 11.2 26.0 4.3 26.5 1.2 27.0 10.7 27.5 1.9 28.0 47.6 29.0 19.6 30.0 21.7 31.0 1.0 35.0 5.3 36.0 71.7 37.0 1.9 38.0 23.9 40.0 2.5 41.0 5.3 42.0 24.1 43.0 100.0 44.0 14.4 45.0 1.5 52.0 1.2 53.0 1.0 54.0 2.3 55.0 3.4 56.0 28.4 57.0 55.3 58.0 2.1 72.0 2.3 73.0 4.9 74.0 2.1 101.0 17.6 102.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H7 N O2 0.033 g : 0.5 ml DMSO-d6 (S)-3-amino-4,5-dihydro-2(3H)-furanone hydrochloride 
Assign. Shift(ppm)
A 9.07 B *1 4.458 C 4.341 D *1 4.300 E *2 2.578 F *2 2.387
Hz ppm Int.3626.71 9.075 500 1791.38 4.483 429 1790.62 4.481 448 1782.68 4.461 1000 1781.62 4.458 971 1773.99 4.439 579 1772.92 4.437 529 1745.61 4.368 709 1736.76 4.346 876 1734.47 4.340 916 1730.04 4.329 484 1725.46 4.318 896 1724.09 4.314 703 1721.19 4.307 487 1719.36 4.303 561 1715.09 4.292 459 1713.26 4.287 530 1710.51 4.281 443 1704.41 4.265 332 1045.84 2.617 216 1044.77 2.615 229 1039.73 2.602 275 1038.36 2.599 285 1037.14 2.596 296 1035.92 2.593 310 1033.48 2.586 376 1032.26 2.583 410 1031.34 2.581 376 1029.82 2.577 320 1027.53 2.572 381 1026.31 2.569 372 1024.93 2.565 368 1023.56 2.562 346 1018.52 2.549 312 1017.61 2.547 298 974.58 2.439 203 965.42 2.416 317 963.59 2.412 455 954.44 2.389 499 953.06 2.385 465 942.38 2.359 358 940.25 2.353 235 931.24 2.331 139
in DMSO-d6
