L-Hydroxyproline(51-35-4) 13C NMR
Product NameL-Hydroxyproline
CAS51-35-4
Molecular FormulaC5H9NO3
Molecular Weight131.13
InChIInChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKey PMMYEEVYMWASQN-DMTCNVIQSA-N
SmilesC(O)(=O)[C@@H]1C[C@@H](O)CN1
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MassMS-NW-6906 trans-4-hydroxy-L-proline C5H9NO3 (Mass of molecular ion: 131)
Source Temperature: 240 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 2.7 18.0 2.0 26.0 1.4 27.0 5.9 28.0 14.6 29.0 5.4 30.0 17.8 31.0 3.3 38.0 1.4 39.0 5.3 40.0 2.7 41.0 37.9 42.0 12.1 43.0 17.9 44.0 2.6 45.0 3.6 54.0 1.3 55.0 4.5 56.0 6.8 57.0 4.1 58.0 9.9 59.0 1.8 67.0 2.6 68.0 35.1 69.0 24.2 70.0 2.0 73.0 2.7 84.0 2.4 86.0 100.0 87.0 18.2 88.0 1.1
400 MHz in D2O
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1H NMR 399.65 MHz C5 H9 N O3 saturated in D2O trans-4-hydroxy-L-proline 
Assign. Shift(ppm)
A 4.674 B 4.354 C *1 3.487 D *1 3.372 E *2 2.436 F *2 2.167 SOLVENT PEAK REMOVED
Hz ppm Int.1871.58 4.684 399 1868.04 4.675 696 1864.14 4.665 392 1749.63 4.378 631 1741.58 4.358 711 1739.38 4.353 696 1731.45 4.333 663 1403.44 3.512 595 1399.66 3.503 576 1390.87 3.481 1000 1387.08 3.471 967 1354.37 3.389 822 1353.03 3.386 982 1352.42 3.385 933 1350.95 3.381 755 1341.80 3.358 531 1340.33 3.354 638 1339.72 3.353 596 1338.38 3.349 463 987.30 2.471 248 985.47 2.466 376 983.64 2.462 243 979.37 2.451 250 977.54 2.446 383 975.71 2.442 274 974.73 2.439 135 973.27 2.436 361 971.44 2.431 504 969.60 2.427 304 965.21 2.416 327 963.50 2.411 488 961.55 2.406 313 878.54 2.199 456 874.27 2.188 473 868.29 2.173 445 864.01 2.162 767 860.11 2.153 369 854.25 2.138 385 853.88 2.137 361 849.85 2.127 362
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
