Tulipalin A(547-65-9) Raman
Product NameTulipalin A
CAS547-65-9
Molecular FormulaC5H6O2
Molecular Weight98.1
InChIInChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2
InChIKey GSLDEZOOOSBFGP-UHFFFAOYSA-N
SmilesO1CCC(=C)C1=O
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MassMS-NW-6089 alpha-methylene-gamma-butyrolactone C5H6O2 (Mass of molecular ion: 98)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.0 15.0 1.5 18.0 3.0 25.0 1.5 26.0 6.7 27.0 11.5 28.0 10.3 29.0 6.1 31.0 1.2 37.0 4.0 38.0 6.6 39.0 46.8 40.0 69.8 41.0 21.5 42.0 1.5 43.0 1.3 44.0 1.1 49.0 1.3 50.0 3.7 51.0 3.1 52.0 1.7 53.0 9.7 54.0 5.0 57.0 1.3 68.0 100.0 69.0 11.4 97.0 2.3 98.0 49.5 99.0 3.4 205.0 4.3 220.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H6 O2 0.05 ml : 0.5 ml CDCl3 alpha-methylene-gamma-butyrolactone 
Assign. Shift(ppm)
A *1 6.214 B *1 5.698 C 4.388 D 3.015
Hz ppm Int.2486.33 6.222 301 2483.40 6.214 560 2480.47 6.207 317 2280.15 5.706 334 2279.66 5.705 353 2277.47 5.699 608 2276.98 5.698 638 2274.90 5.693 359 2274.41 5.692 360 1761.35 4.408 721 1758.18 4.400 56 1754.15 4.390 1000 1749.27 4.378 70 1746.58 4.371 798 1743.41 4.363 50 1215.45 3.042 251 1212.65 3.035 358 1209.96 3.028 286 1207.89 3.023 341 1205.32 3.016 560 1202.39 3.009 360 1200.81 3.005 291 1197.88 2.998 372 1195.19 2.991 265
in CDCl3
liquid film
4880 A,200 M,liquid
