cis-4-Hydroxy-D-proline(2584-71-6) IR2
Product Namecis-4-Hydroxy-D-proline
CAS2584-71-6
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-QWWZWVQMSA-N
SmilesC(O)(=O)[C@H]1C[C@@H](O)CN1
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MassMS-NW-6907 cis-4-hydroxy-D-proline C5H9NO3 (Mass of molecular ion: 131)
Source Temperature: 240 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 3.2 17.0 1.0 18.0 3.8 26.0 2.0 27.0 7.6 28.0 18.4 29.0 6.3 30.0 21.7 31.0 4.1 38.0 1.7 39.0 6.4 40.0 3.4 41.0 44.4 42.0 13.0 43.0 16.4 44.0 3.0 45.0 4.5 54.0 1.7 55.0 5.8 56.0 11.3 57.0 5.0 58.0 11.0 59.0 2.0 66.0 1.0 67.0 4.1 68.0 40.4 69.0 26.3 70.0 2.2 73.0 3.6 84.0 2.2 86.0 100.0 87.0 17.7 88.0 1.2 131.0 1.0
400 MHz in D2O
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1H NMR 399.65 MHz C5 H9 N O3 0.038 g : 0.5 ml D2O cis-4-hydroxy-D-proline 
Assign. Shift(ppm)
A 4.590 B 4.225 C 3.468 D 3.383 E 2.510 F 2.265 SOLVENT PEAK REMOVED
Hz ppm Int.1840.82 4.607 234 1838.87 4.602 390 1836.91 4.597 536 1834.72 4.591 683 1832.40 4.586 556 1830.44 4.581 417 1828.49 4.576 254 1695.80 4.244 672 1691.89 4.234 716 1685.42 4.218 718 1681.64 4.208 707 1397.09 3.496 264 1396.61 3.495 278 1395.14 3.491 495 1393.55 3.487 304 1384.16 3.464 527 1382.69 3.460 927 1380.98 3.456 569 1358.52 3.400 1000 1354.49 3.390 990 1346.07 3.369 538 1342.16 3.359 537 1018.80 2.550 323 1014.28 2.538 329 1008.18 2.523 320 1004.27 2.513 540 1000.00 2.503 436 994.14 2.488 418 989.62 2.477 412 915.41 2.291 289 913.45 2.286 528 911.62 2.282 533 909.67 2.277 533 907.71 2.272 299 901.25 2.256 229 899.29 2.251 407 897.34 2.246 410 895.51 2.241 414 893.55 2.236 227
KBr disc
nujol mull
