ALPHA-AMINO-GAMMA-BUTYROLACTONE HYDROBROMIDE(6305-38-0) Raman
Product NameALPHA-AMINO-GAMMA-BUTYROLACTONE HYDROBROMIDE
CAS6305-38-0
Molecular FormulaC4H8BrNO2
Molecular Weight182.02
InChIInChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
InChIKey MKLNTBLOABOJFZ-UHFFFAOYSA-N
SmilesC1(OCCC1N)=O.[H]Br
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MassMS-NW-5054 alpha-amino-gamma-butyrolactone hydrobromide C4H7NO2 HBr (Mass of molecular ion: 101)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
14.0 1.6 15.0 6.4 17.0 1.4 18.0 7.9 26.0 5.4 26.5 1.2 27.0 11.6 27.5 2.1 28.0 43.8 29.0 16.8 30.0 23.4 31.0 1.0 38.0 1.3 39.0 3.3 39.5 2.2 40.0 2.9 40.5 2.2 41.0 6.1 42.0 26.3 43.0 100.0 44.0 13.7 45.0 1.0 52.0 1.7 53.0 1.0 54.0 2.8 55.0 2.5 56.0 35.8 57.0 69.4 58.0 2.5 72.0 2.0 73.0 3.6 74.0 1.4 79.0 29.9 80.0 86.1 81.0 29.7 82.0 85.0 101.0 7.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H7 N O2 0.040 g : 0.5 ml DMSO-d6 alpha-amino-gamma-butyrolactone hydrobromide 
Assign. Shift(ppm)
A 8.72 B *1 4.470 C *1 4.434 D 4.322 E *2 2.594 F *2 2.322
Hz ppm Int.3486.63 8.725 382 1795.65 4.494 443 1787.72 4.474 954 1786.80 4.471 1000 1782.23 4.460 793 1778.87 4.452 631 1778.11 4.450 611 1773.38 4.438 867 1770.94 4.432 889 1761.93 4.409 749 1739.96 4.354 410 1733.86 4.339 509 1731.11 4.332 411 1729.13 4.327 527 1725.01 4.317 419 1723.02 4.312 509 1720.28 4.305 420 1714.17 4.290 330 1051.48 2.632 211 1050.42 2.629 235 1045.53 2.617 260 1044.31 2.614 264 1042.63 2.609 275 1041.56 2.607 295 1039.12 2.601 331 1038.06 2.598 366 1036.68 2.594 337 1035.46 2.591 301 1033.17 2.586 342 1032.10 2.583 329 1030.43 2.579 320 1029.21 2.576 326 1024.32 2.564 279 1023.25 2.561 282 949.10 2.375 198 939.94 2.352 279 937.96 2.347 428 928.65 2.324 465 926.97 2.320 431 925.90 2.317 438 916.75 2.294 366 914.61 2.289 239 905.61 2.267 149
in D2O
in DMSO-d6
KBr disc
nujol mull
