L-PANTOLACTONE(5405-40-3) 13C NMR
Product NameL-PANTOLACTONE
CAS5405-40-3
Molecular FormulaC6H10O3
Molecular Weight130.14
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1
InChIKey SERHXTVXHNVDKA-SCSAIBSYSA-N
SmilesO1CC(C)(C)[C@H](O)C1=O
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MassMS-NW-1745 (S)-(+)-pantolactone C6H10O3 (Mass of molecular ion: 130)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.8 26.0 1.7 27.0 19.0 28.0 2.0 29.0 13.3 30.0 4.2 31.0 6.7 37.0 1.0 38.0 2.4 39.0 18.3 40.0 3.2 41.0 30.0 42.0 3.5 43.0 36.6 44.0 2.7 45.0 5.2 50.0 1.1 51.0 1.4 53.0 8.1 54.0 1.5 55.0 8.6 56.0 6.0 57.0 23.5 58.0 3.4 67.0 3.3 68.0 7.9 69.0 1.8 71.0 100.0 72.0 10.3 73.0 3.1 85.0 1.5 86.0 1.6
in CDCl3
KBr disc
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